4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine

C20H22Cl2N2 — CID 5196949

IUPAC4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc2c(CCCCN)c(-c3ccc(Cl)cc3Cl)[nH]c2c1C
InChIInChI=1S/C20H22Cl2N2/c1-12-6-8-16-15(5-3-4-10-23)20(24-19(16)13(12)2)17-9-7-14(21)11-18(17)22/h6-9,11,24H,3-5,10,23H2,1-2H3
InChIKeyWQUJMXHEELYQPW-UHFFFAOYSA-N
MW361.32 g/mol
LogP6.04
Rot. Bonds5

About 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine

4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine (PubChem CID 5196949) has the molecular formula C20H22Cl2N2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
PubChem CID5196949
Molecular FormulaC20H22Cl2N2
Molecular Weight361.32 g/mol
Exact Mass360.12
IUPAC Name4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc2c(CCCCN)c(-c3ccc(Cl)cc3Cl)[nH]c2c1C
InChIInChI=1S/C20H22Cl2N2/c1-12-6-8-16-15(5-3-4-10-23)20(24-19(16)13(12)2)17-9-7-14(21)11-18(17)22/h6-9,11,24H,3-5,10,23H2,1-2H3
InChIKeyWQUJMXHEELYQPW-UHFFFAOYSA-N
XLogP6.04
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.32
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-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-[2-(2-chloro-4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5217375
4-[2-(5-chloro-2-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5217496
4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 3936091
4-[2-(2,4-difluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3985960
4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4012865
4-[6-chloro-7-methyl-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5214084
4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3458945
4-[2-(2-ethoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3902538
3-(4-aminobutyl)-2-(2,4-dichlorophenyl)-1H-indole-5-carbonitrile
CID 4022395
4-[2-(2-chloro-4-fluorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4532381
4-[2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4017312
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine (CID 5196949) is 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine is Cc1ccc2c(CCCCN)c(-c3ccc(Cl)cc3Cl)[nH]c2c1C.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is WQUJMXHEELYQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2/c1-12-6-8-16-15(5-3-4-10-23)20(24-19(16)13(12)2)17-9-7-14(21)11-18(17)22/h6-9,11,24H,3-5,10,23H2,1-2H3.
What are the key properties of 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine?
4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 361.32 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 5196949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).