N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride

C24H24Cl2N2O — CID 17295450

IUPACN-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
SMILESCl.Clc1ccc(OCc2ccccc2)c(CNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H23ClN2O.ClH/c25-21-10-11-24(28-17-18-6-2-1-3-7-18)20(14-21)15-26-13-12-19-16-27-23-9-5-4-8-22(19)23;/h1-11,14,16,26-27H,12-13,15,17H2;1H
InChIKeyBIHHAHWDBLOVIX-UHFFFAOYSA-N
MW427.38 g/mol
LogP6.15
Rot. Bonds8

About N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 17295450) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID17295450
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
SMILESCl.Clc1ccc(OCc2ccccc2)c(CNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H23ClN2O.ClH/c25-21-10-11-24(28-17-18-6-2-1-3-7-18)20(14-21)15-26-13-12-19-16-27-23-9-5-4-8-22(19)23;/h1-11,14,16,26-27H,12-13,15,17H2;1H
InChIKeyBIHHAHWDBLOVIX-UHFFFAOYSA-N
XLogP6.15
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride 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

N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295064
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 66530752
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 17055251
2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295021
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 4720848
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215547
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 66536052
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720934

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride (CID 17295450) is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride is Cl.Clc1ccc(OCc2ccccc2)c(CNCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is BIHHAHWDBLOVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O.ClH/c25-21-10-11-24(28-17-18-6-2-1-3-7-18)20(14-21)15-26-13-12-19-16-27-23-9-5-4-8-22(19)23;/h1-11,14,16,26-27H,12-13,15,17H2;1H.
What are the key properties of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride?
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 427.38 g/mol, XLogP of 6.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 17295450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).