2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine

C25H26N2O — CID 17054413

IUPAC2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCc1ccc(COc2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C25H26N2O/c1-19-6-8-21(9-7-19)18-28-23-12-10-20(11-13-23)16-26-15-14-22-17-27-25-5-3-2-4-24(22)25/h2-13,17,26-27H,14-16,18H2,1H3
InChIKeyOGVOZBZXWDIHSN-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.39
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine

2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 17054413) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID17054413
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCc1ccc(COc2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C25H26N2O/c1-19-6-8-21(9-7-19)18-28-23-12-10-20(11-13-23)16-26-15-14-22-17-27-25-5-3-2-4-24(22)25/h2-13,17,26-27H,14-16,18H2,1H3
InChIKeyOGVOZBZXWDIHSN-UHFFFAOYSA-N
XLogP5.39
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.39
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-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17054412
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
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol
CID 97070492
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
2-(1H-indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine;hydrobromide
CID 75531299
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 4720848
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine (CID 17054413) is 2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine is Cc1ccc(COc2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is OGVOZBZXWDIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-19-6-8-21(9-7-19)18-28-23-12-10-20(11-13-23)16-26-15-14-22-17-27-25-5-3-2-4-24(22)25/h2-13,17,26-27H,14-16,18H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 370.50 g/mol, XLogP of 5.39, 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-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 17054413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).