[6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone

C17H18N2O — CID 50742595

IUPAC[6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone
SMILESCC1Cc2ccc(CN)cc2N1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12-9-15-8-7-13(11-18)10-16(15)19(12)17(20)14-5-3-2-4-6-14/h2-8,10,12H,9,11,18H2,1H3
InChIKeyXXQFBERZRZQVNA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.74
Rot. Bonds2

About [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone

[6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone (PubChem CID 50742595) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone
PubChem CID50742595
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone
SMILESCC1Cc2ccc(CN)cc2N1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12-9-15-8-7-13(11-18)10-16(15)19(12)17(20)14-5-3-2-4-6-14/h2-8,10,12H,9,11,18H2,1H3
InChIKeyXXQFBERZRZQVNA-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea
CID 53099625
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
CID 95081623
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide
CID 95081549
1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea
CID 95081769
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea
CID 53099574
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methylphenyl)urea
CID 95081804
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea
CID 53099569
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(2-ethylphenyl)urea
CID 53099590
ethyl 2-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methylcarbamoylamino]propanoate
CID 53099629
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea
CID 95081780

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone?
The IUPAC name of [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone (CID 50742595) is [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone.
What is the SMILES notation for [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone?
The canonical SMILES for [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone is CC1Cc2ccc(CN)cc2N1C(=O)c1ccccc1.
What is the InChIKey of [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone?
The InChIKey is XXQFBERZRZQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-9-15-8-7-13(11-18)10-16(15)19(12)17(20)14-5-3-2-4-6-14/h2-8,10,12H,9,11,18H2,1H3.
What are the key properties of [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone?
[6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone has a molecular weight of 266.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone is sourced from PubChem (CID 50742595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).