4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine

C19H21ClN2 — CID 3665448

IUPAC4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccccc1-c1[nH]c2ccc(Cl)cc2c1CCCCN
InChIInChI=1S/C19H21ClN2/c1-13-6-2-3-7-15(13)19-16(8-4-5-11-21)17-12-14(20)9-10-18(17)22-19/h2-3,6-7,9-10,12,22H,4-5,8,11,21H2,1H3
InChIKeySCUPOUWFSIDFJS-UHFFFAOYSA-N
MW312.84 g/mol
LogP5.08
Rot. Bonds5

About 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine

4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3665448) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3665448
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccccc1-c1[nH]c2ccc(Cl)cc2c1CCCCN
InChIInChI=1S/C19H21ClN2/c1-13-6-2-3-7-15(13)19-16(8-4-5-11-21)17-12-14(20)9-10-18(17)22-19/h2-3,6-7,9-10,12,22H,4-5,8,11,21H2,1H3
InChIKeySCUPOUWFSIDFJS-UHFFFAOYSA-N
XLogP5.08
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.84
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine 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

4-[5-tert-butyl-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4312932
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3577273
4-[5-bromo-7-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5135611
4-[5-chloro-7-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3892985
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3657414
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4027468
4-[5-chloro-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3978108
4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine
CID 5010457
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine (CID 3665448) is 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine is Cc1ccccc1-c1[nH]c2ccc(Cl)cc2c1CCCCN.
What is the InChIKey of 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is SCUPOUWFSIDFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-13-6-2-3-7-15(13)19-16(8-4-5-11-21)17-12-14(20)9-10-18(17)22-19/h2-3,6-7,9-10,12,22H,4-5,8,11,21H2,1H3.
What are the key properties of 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 312.84 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3665448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).