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

C24H25ClN2O — CID 3449714

IUPAC4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1c(-c2[nH]c3c(C)ccc(Cl)c3c2CCCCN)ccc2ccccc12
InChIInChI=1S/C24H25ClN2O/c1-15-10-13-20(25)21-18(9-5-6-14-26)23(27-22(15)21)19-12-11-16-7-3-4-8-17(16)24(19)28-2/h3-4,7-8,10-13,27H,5-6,9,14,26H2,1-2H3
InChIKeyIZGPNXMFVAFJJI-UHFFFAOYSA-N
MW392.93 g/mol
LogP6.24
Rot. Bonds6

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

4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine (PubChem CID 3449714) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine
PubChem CID3449714
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1c(-c2[nH]c3c(C)ccc(Cl)c3c2CCCCN)ccc2ccccc12
InChIInChI=1S/C24H25ClN2O/c1-15-10-13-20(25)21-18(9-5-6-14-26)23(27-22(15)21)19-12-11-16-7-3-4-8-17(16)24(19)28-2/h3-4,7-8,10-13,27H,5-6,9,14,26H2,1-2H3
InChIKeyIZGPNXMFVAFJJI-UHFFFAOYSA-N
XLogP6.24
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 56.24
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-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3884218
4-[4-chloro-2-(2-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4989795
4-[2-(1-benzothiophen-3-yl)-4-chloro-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3353814
4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5037572
4-[2-(2,3-dichlorophenyl)-4,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5158000
4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3988137
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-[6,7-dichloro-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3502542
4-[4,6-dichloro-2-(8-methoxy-2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3449865
3-(4-aminobutyl)-7-methyl-2-(2-phenylphenyl)-1H-indole-4-carboxylic acid
CID 3538439

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine (CID 3449714) is 4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine is COc1c(-c2[nH]c3c(C)ccc(Cl)c3c2CCCCN)ccc2ccccc12.
What is the InChIKey of 4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is IZGPNXMFVAFJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-15-10-13-20(25)21-18(9-5-6-14-26)23(27-22(15)21)19-12-11-16-7-3-4-8-17(16)24(19)28-2/h3-4,7-8,10-13,27H,5-6,9,14,26H2,1-2H3.
What are the key properties of 4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine?
4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 392.93 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3449714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).