1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine

C17H17ClN2 — CID 141347657

IUPAC1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine
SMILESCNc1ccc2c(c1)cc(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2/c1-12-9-14-10-16(19-2)7-8-17(14)20(12)11-13-3-5-15(18)6-4-13/h3-10,19H,11H2,1-2H3
InChIKeyAACLNCXKWPSMCO-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.69
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine

1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine (PubChem CID 141347657) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine
PubChem CID141347657
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine
SMILESCNc1ccc2c(c1)cc(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2/c1-12-9-14-10-16(19-2)7-8-17(14)20(12)11-13-3-5-15(18)6-4-13/h3-10,19H,11H2,1-2H3
InChIKeyAACLNCXKWPSMCO-UHFFFAOYSA-N
XLogP4.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate
CID 67984684
1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol
CID 174670552
1-benzyl-6-chloro-2-methylindole
CID 121404424
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide
CID 20751562
2-methyl-1-[(4-phenylphenyl)methyl]indol-5-ol
CID 139659856
4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
CID 19779449
1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine
CID 67984828
1-[(3,4-dichlorophenyl)methyl]-2-methylindole
CID 63812577
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol
CID 123845193
1-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinoline-6-carboxylic acid
CID 126478672

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine (CID 141347657) is 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine is CNc1ccc2c(c1)cc(C)n2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine?
The InChIKey is AACLNCXKWPSMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-12-9-14-10-16(19-2)7-8-17(14)20(12)11-13-3-5-15(18)6-4-13/h3-10,19H,11H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine?
1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine has a molecular weight of 284.79 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine is sourced from PubChem (CID 141347657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).