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

C20H22Cl2N2 — CID 4012865

IUPAC4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
SMILESCCc1cccc2c(CCCCN)c(-c3ccc(Cl)cc3Cl)[nH]c12
InChIInChI=1S/C20H22Cl2N2/c1-2-13-6-5-8-15-16(7-3-4-11-23)20(24-19(13)15)17-10-9-14(21)12-18(17)22/h5-6,8-10,12,24H,2-4,7,11,23H2,1H3
InChIKeyLGZTZWTWKPOFFF-UHFFFAOYSA-N
MW361.32 g/mol
LogP5.99
Rot. Bonds6

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

4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine (PubChem CID 4012865) has the molecular formula C20H22Cl2N2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
PubChem CID4012865
Molecular FormulaC20H22Cl2N2
Molecular Weight361.32 g/mol
Exact Mass360.12
IUPAC Name4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
SMILESCCc1cccc2c(CCCCN)c(-c3ccc(Cl)cc3Cl)[nH]c12
InChIInChI=1S/C20H22Cl2N2/c1-2-13-6-5-8-15-16(7-3-4-11-23)20(24-19(13)15)17-10-9-14(21)12-18(17)22/h5-6,8-10,12,24H,2-4,7,11,23H2,1H3
InChIKeyLGZTZWTWKPOFFF-UHFFFAOYSA-N
XLogP5.99
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.32
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4211375
2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid
CID 5027845
4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 3936091
4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5196949
4-[2-(2-chloro-4-fluorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4532381
4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5034856
4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3622916
4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 4275710
3-(4-aminobutyl)-2-(2,4-dichlorophenyl)-1H-indole-5-carbonitrile
CID 4022395
4-[2-(2-chloro-4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5217375
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4222400

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine (CID 4012865) is 4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine is CCc1cccc2c(CCCCN)c(-c3ccc(Cl)cc3Cl)[nH]c12.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is LGZTZWTWKPOFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2/c1-2-13-6-5-8-15-16(7-3-4-11-23)20(24-19(13)15)17-10-9-14(21)12-18(17)22/h5-6,8-10,12,24H,2-4,7,11,23H2,1H3.
What are the key properties of 4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine?
4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 361.32 g/mol, XLogP of 5.99, 6 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)-7-ethyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4012865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).