4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine

C23H23ClN2O — CID 5037572

IUPAC4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1cc2ccccc2cc1-c1[nH]c2c(Cl)cccc2c1CCCCN
InChIInChI=1S/C23H23ClN2O/c1-27-21-14-16-8-3-2-7-15(16)13-19(21)22-17(9-4-5-12-25)18-10-6-11-20(24)23(18)26-22/h2-3,6-8,10-11,13-14,26H,4-5,9,12,25H2,1H3
InChIKeyQNVSCMCJBXFUPQ-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.93
Rot. Bonds6

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

4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine (PubChem CID 5037572) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
PubChem CID5037572
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1cc2ccccc2cc1-c1[nH]c2c(Cl)cccc2c1CCCCN
InChIInChI=1S/C23H23ClN2O/c1-27-21-14-16-8-3-2-7-15(16)13-19(21)22-17(9-4-5-12-25)18-10-6-11-20(24)23(18)26-22/h2-3,6-8,10-11,13-14,26H,4-5,9,12,25H2,1H3
InChIKeyQNVSCMCJBXFUPQ-UHFFFAOYSA-N
XLogP5.93
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.93
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-bromo-2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3259628
4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3622916
4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3449714
4-[5-(1-adamantyl)-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 3966989
4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4214505
4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 3936091
4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4222400
4-[2-(5-chloro-2-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5217496
4-[2-(4-tert-butylphenyl)-7-chloro-1H-indol-3-yl]butan-1-amine
CID 4574426
4-[4,6-dichloro-2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4641134
4-[2-(5-bromo-2-methoxyphenyl)-5-chloro-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3561539
4-[6-chloro-2-(2-methoxy-5-methylsulfanylphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4233661

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine (CID 5037572) is 4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine is COc1cc2ccccc2cc1-c1[nH]c2c(Cl)cccc2c1CCCCN.
What is the InChIKey of 4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is QNVSCMCJBXFUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-27-21-14-16-8-3-2-7-15(16)13-19(21)22-17(9-4-5-12-25)18-10-6-11-20(24)23(18)26-22/h2-3,6-8,10-11,13-14,26H,4-5,9,12,25H2,1H3.
What are the key properties of 4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine?
4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 378.90 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 5037572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).