2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride

C24H25ClN2O — CID 17295021

IUPAC2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCl.c1ccc(COc2cccc(CNCCc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C24H24N2O.ClH/c1-2-7-19(8-3-1)18-27-22-10-6-9-20(15-22)16-25-14-13-21-17-26-24-12-5-4-11-23(21)24;/h1-12,15,17,25-26H,13-14,16,18H2;1H
InChIKeyLZHONZGLJSQLCN-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.50
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride

2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17295021) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17295021
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCl.c1ccc(COc2cccc(CNCCc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C24H24N2O.ClH/c1-2-7-19(8-3-1)18-27-22-10-6-9-20(15-22)16-25-14-13-21-17-26-24-12-5-4-11-23(21)24;/h1-12,15,17,25-26H,13-14,16,18H2;1H
InChIKeyLZHONZGLJSQLCN-UHFFFAOYSA-N
XLogP5.50
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213616
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17054412
2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17054413
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295450
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 4720848
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17333202
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (CID 17295021) is 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is Cl.c1ccc(COc2cccc(CNCCc3c[nH]c4ccccc34)c2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is LZHONZGLJSQLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O.ClH/c1-2-7-19(8-3-1)18-27-22-10-6-9-20(15-22)16-25-14-13-21-17-26-24-12-5-4-11-23(21)24;/h1-12,15,17,25-26H,13-14,16,18H2;1H.
What are the key properties of 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17295021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).