| CAS Number | 110207-94-8 |
| Catalog Number | AG01AD0P(AGN-PC-035LPH) |
| Chemical Name | [3-(PROPAN-2-YL)PHENYL]METHANAMINE |
| IUPAC Name | (3-propan-2-ylphenyl)methanamine |
| InChI | InChI=1S/C10H15N/c1-8(2)10-5-3-4-9(6-10)7-11/h3-6,8H,7,11H2,1-2H3 |
| InChI Key | UMGGFLATENTNHY-UHFFFAOYSA-N |
| MDL Number | MFCD19541078 |
| Molecular Formula | C10H15N |
| Molecular Weight | 149.2328 |
| SMILES | NCC1=CC=CC(C(C)C)=C1 |
| Synonyms | 110207-94-8,
[3-(propan-2-yl)phenyl]methanamine,
(3-ISOPROPYLPHENYL)METHANAMINE,
3-isopropylbenzylamine,
3-isopropyl-benzylamine,
SCHEMBL84035,
UMGGFLATENTNHY-UHFFFAOYSA-N,
ZINC77912519,
AKOS013200781,
NE17788,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.237g/mol |
| Monoisotopic Mass | 149.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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