[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride

C16H15ClN2O — CID 12504715

IUPAC[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
SMILESCl.NCc1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C16H14N2O.ClH/c17-10-13-11-18(15-9-5-4-8-14(13)15)16(19)12-6-2-1-3-7-12;/h1-9,11H,10,17H2;1H
InChIKeySPSLHUVTSXSLLF-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.21
Rot. Bonds2

About [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride

[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride (PubChem CID 12504715) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
PubChem CID12504715
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
SMILESCl.NCc1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C16H14N2O.ClH/c17-10-13-11-18(15-9-5-4-8-14(13)15)16(19)12-6-2-1-3-7-12;/h1-9,11H,10,17H2;1H
InChIKeySPSLHUVTSXSLLF-UHFFFAOYSA-N
XLogP3.21
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482
methyl 3-(aminomethyl)indole-1-carboxylate
CID 155065457
2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid
CID 19101741
2-[1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 162537823
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
3-(2-aminoethyl)indole-1-carboxylic acid
CID 69396073
phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone
CID 173457888
2-(1-acetylindol-3-yl)-1-phenylethanone
CID 15749679
methyl (2S)-3-(1-benzoylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10598315
1-(3-ethylindol-1-yl)-2-iodoethanone
CID 142121181
1-benzoyl-N,N-dibenzylindole-3-carboxamide
CID 164674380
4-[1-(4-nitrobenzoyl)indol-3-yl]butanoic acid
CID 19101760

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride (CID 12504715) is [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride is Cl.NCc1cn(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride?
The InChIKey is SPSLHUVTSXSLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.ClH/c17-10-13-11-18(15-9-5-4-8-14(13)15)16(19)12-6-2-1-3-7-12;/h1-9,11H,10,17H2;1H.
What are the key properties of [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride?
[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 12504715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).