4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine

C23H30N2O — CID 3541792

IUPAC4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCCCc1cccc2c(CCCCN)c(-c3ccc(OC)cc3)[nH]c12
InChIInChI=1S/C23H30N2O/c1-3-4-8-17-9-7-11-21-20(10-5-6-16-24)23(25-22(17)21)18-12-14-19(26-2)15-13-18/h7,9,11-15,25H,3-6,8,10,16,24H2,1-2H3
InChIKeyKLPPNWPJOHCKMD-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.47
Rot. Bonds9

About 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine

4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3541792) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3541792
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCCCc1cccc2c(CCCCN)c(-c3ccc(OC)cc3)[nH]c12
InChIInChI=1S/C23H30N2O/c1-3-4-8-17-9-7-11-21-20(10-5-6-16-24)23(25-22(17)21)18-12-14-19(26-2)15-13-18/h7,9,11-15,25H,3-6,8,10,16,24H2,1-2H3
InChIKeyKLPPNWPJOHCKMD-UHFFFAOYSA-N
XLogP5.47
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5034856
4-[6-chloro-2-(4-methoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3525870
4-[2-(1-benzothiophen-2-yl)-7-butyl-1H-indol-3-yl]butan-1-amine
CID 4026811
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
4-[5-tert-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 5131394
4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5138431
2-[3-(4-aminobutyl)-2-(4-methoxyphenyl)-1H-indol-5-yl]acetic acid
CID 3893491
4-[3-(4-aminobutyl)-5-methoxy-1H-indol-2-yl]-N,N-dimethylaniline
CID 3997182
4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine
CID 3891466
4-[2-(4-tert-butylphenyl)-7-chloro-1H-indol-3-yl]butan-1-amine
CID 4574426
4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3895862

Frequently Asked Questions

What is the IUPAC name of 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine (CID 3541792) is 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine is CCCCc1cccc2c(CCCCN)c(-c3ccc(OC)cc3)[nH]c12.
What is the InChIKey of 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is KLPPNWPJOHCKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-4-8-17-9-7-11-21-20(10-5-6-16-24)23(25-22(17)21)18-12-14-19(26-2)15-13-18/h7,9,11-15,25H,3-6,8,10,16,24H2,1-2H3.
What are the key properties of 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine?
4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 350.51 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3541792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).