| CAS Number | 893576-11-9 |
| Catalog Number | AG003Y1D(AGN-PC-0WONSW) |
| Chemical Name | [(3-Methoxyphenyl)methyl](2-methylpropyl)amine |
| IUPAC Name | N-[(3-methoxyphenyl)methyl]-2-methylpropan-1-amine |
| InChI | InChI=1S/C12H19NO/c1-10(2)8-13-9-11-5-4-6-12(7-11)14-3/h4-7,10,13H,8-9H2,1-3H3 |
| InChI Key | YSWWWWWQNTUHPV-UHFFFAOYSA-N |
| MDL Number | MFCD07405944 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | COC1=CC(CNCC(C)C)=CC=C1 |
| Synonyms | 893576-11-9,
N-(3-methoxybenzyl)-2-methylpropan-1-amine,
N-(3-METHOXYBENZYL)-2-METHYL-1-PROPANAMINE,
N-isobutyl-N-(3-methoxybenzyl)amine,
AC1NG2FH,
CTK5G2857,
KS-00001LRJ,
CHEMBRDG-BB 9071991,
ZINC6883639,
STK281159,
AKOS000226874,
MCULE-4855822804,
AJ-57014,
[(3-methoxyphenyl)methyl](2-methylpropyl)amine,
Y-2960,
AN-465/42518735,
N-[(3-methoxyphenyl)methyl]-2-methylpropan-1-amine,
CHEMBRDG-BB9071991,
CID4717591,
N-[(3-methoxyphenyl)methyl]-2-methyl-propan-1-amine,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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