| CAS Number | 954260-60-7 |
| Catalog Number | AG019MV4 |
| Chemical Name | {4-[(2,3-dihydro-1H-indol-1-yl)methyl]phenyl}methanamine |
| IUPAC Name | [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine |
| InChI | InChI=1S/C16H18N2/c17-11-13-5-7-14(8-6-13)12-18-10-9-15-3-1-2-4-16(15)18/h1-8H,9-12,17H2 |
| InChI Key | OEZFNZZRJOEHHS-UHFFFAOYSA-N |
| MDL Number | MFCD09739830 |
| Molecular Formula | C16H18N2 |
| Molecular Weight | 238.3275 |
| SMILES | NCC1=CC=C(CN2C3=C(C=CC=C3)CC2)C=C1 |
| Synonyms | 1-[4-(2,3-dihydro-1H-indol-1-ylmethyl)phenyl]methanamine,
[4-(2,3-dihydro-1H-indol-1-ylmethyl)phenyl]methanamine,
954260-60-7,
AC1Q53YN,
CTK7E4447,
ZINC22223077,
AKOS000146738,
MCULE-2797746555,
NE29619,
NCGC00331046-01,
EN300-37384,
AB01325170-02,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.334g/mol |
| Monoisotopic Mass | 238.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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