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

C20H23ClN2 — CID 3990175

IUPAC4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCc1ccc(-c2[nH]c3ccc(Cl)cc3c2CCCCN)cc1
InChIInChI=1S/C20H23ClN2/c1-2-14-6-8-15(9-7-14)20-17(5-3-4-12-22)18-13-16(21)10-11-19(18)23-20/h6-11,13,23H,2-5,12,22H2,1H3
InChIKeyRBAUQAFVYVIGFV-UHFFFAOYSA-N
MW326.87 g/mol
LogP5.33
Rot. Bonds6

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

4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3990175) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3990175
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCc1ccc(-c2[nH]c3ccc(Cl)cc3c2CCCCN)cc1
InChIInChI=1S/C20H23ClN2/c1-2-14-6-8-15(9-7-14)20-17(5-3-4-12-22)18-13-16(21)10-11-19(18)23-20/h6-11,13,23H,2-5,12,22H2,1H3
InChIKeyRBAUQAFVYVIGFV-UHFFFAOYSA-N
XLogP5.33
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.87
LogP ≤ 55.33
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-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline
CID 3525871
4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3657414
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-[5-butyl-2-(3-chlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3340482
4-[5-chloro-2-(4-ethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3500746
4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3644424
3-(4-aminobutyl)-2-(4-chlorophenyl)-1H-indole-5-carbonitrile
CID 3688893
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5034856
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-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine (CID 3990175) is 4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine is CCc1ccc(-c2[nH]c3ccc(Cl)cc3c2CCCCN)cc1.
What is the InChIKey of 4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is RBAUQAFVYVIGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2/c1-2-14-6-8-15(9-7-14)20-17(5-3-4-12-22)18-13-16(21)10-11-19(18)23-20/h6-11,13,23H,2-5,12,22H2,1H3.
What are the key properties of 4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 326.87 g/mol, XLogP of 5.33, 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-ethylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3990175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).