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

C24H23ClN2 — CID 5035921

IUPAC4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H23ClN2/c25-20-13-14-23-22(16-20)21(8-4-5-15-26)24(27-23)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-3,6-7,9-14,16,27H,4-5,8,15,26H2
InChIKeyYQIRTHAVUYIUQY-UHFFFAOYSA-N
MW374.92 g/mol
LogP6.44
Rot. Bonds6

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

4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 5035921) has the molecular formula C24H23ClN2 and a molecular weight of 374.92 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID5035921
Molecular FormulaC24H23ClN2
Molecular Weight374.92 g/mol
Exact Mass374.15
IUPAC Name4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H23ClN2/c25-20-13-14-23-22(16-20)21(8-4-5-15-26)24(27-23)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-3,6-7,9-14,16,27H,4-5,8,15,26H2
InChIKeyYQIRTHAVUYIUQY-UHFFFAOYSA-N
XLogP6.44
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.92
LogP ≤ 56.44
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-[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-[7-bromo-5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4546142
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-(5,7-dichloro-2-phenyl-1H-indol-3-yl)butan-1-amine
CID 3460456
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
3-(4-aminobutyl)-2-(4-chlorophenyl)-1H-indole-5-carbonitrile
CID 3688893
4-[5-butyl-2-(3-chlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3340482
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4027468
4-[2-(3,4-dichlorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 3602353

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine (CID 5035921) is 4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine is NCCCCc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is YQIRTHAVUYIUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2/c25-20-13-14-23-22(16-20)21(8-4-5-15-26)24(27-23)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-3,6-7,9-14,16,27H,4-5,8,15,26H2.
What are the key properties of 4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 374.92 g/mol, XLogP of 6.44, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 5035921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).