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

C22H20Cl2N2 — CID 3936091

IUPAC4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2c1ccc1ccccc12
InChIInChI=1S/C22H20Cl2N2/c23-15-9-11-19(20(24)13-15)22-17(7-3-4-12-25)18-10-8-14-5-1-2-6-16(14)21(18)26-22/h1-2,5-6,8-11,13,26H,3-4,7,12,25H2
InChIKeyIWLWEKGFNHNEKJ-UHFFFAOYSA-N
MW383.32 g/mol
LogP6.58
Rot. Bonds5

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

4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine (PubChem CID 3936091) has the molecular formula C22H20Cl2N2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine
PubChem CID3936091
Molecular FormulaC22H20Cl2N2
Molecular Weight383.32 g/mol
Exact Mass382.10
IUPAC Name4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2c1ccc1ccccc12
InChIInChI=1S/C22H20Cl2N2/c23-15-9-11-19(20(24)13-15)22-17(7-3-4-12-25)18-10-8-14-5-1-2-6-16(14)21(18)26-22/h1-2,5-6,8-11,13,26H,3-4,7,12,25H2
InChIKeyIWLWEKGFNHNEKJ-UHFFFAOYSA-N
XLogP6.58
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 56.58
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-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5196949
4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4012865
4-[2-(2-chloro-4-fluorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4532381
4-[2-(5-bromoquinolin-8-yl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 4012728
4-[2-(5-bromothiophen-2-yl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 4568458
4-[2-(2-chloro-4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5217375
4-[2-(1,3-benzothiazol-2-yl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 5029093
3-(4-aminobutyl)-2-(2,4-dichlorophenyl)-1H-indole-5-carbonitrile
CID 4022395
4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5037572
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3622916
4-(5,7-dichloro-2-phenyl-1H-indol-3-yl)butan-1-amine
CID 3460456

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine (CID 3936091) is 4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine is NCCCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2c1ccc1ccccc12.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine?
The InChIKey is IWLWEKGFNHNEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2/c23-15-9-11-19(20(24)13-15)22-17(7-3-4-12-25)18-10-8-14-5-1-2-6-16(14)21(18)26-22/h1-2,5-6,8-11,13,26H,3-4,7,12,25H2.
What are the key properties of 4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine?
4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine has a molecular weight of 383.32 g/mol, XLogP of 6.58, 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)-1H-benzo[g]indol-3-yl]butan-1-amine is sourced from PubChem (CID 3936091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).