1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine

C16H15ClN2 — CID 67984399

IUPAC1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine
SMILESCc1cc2cc(N)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2/c1-11-8-13-9-15(18)6-7-16(13)19(11)10-12-2-4-14(17)5-3-12/h2-9H,10,18H2,1H3
InChIKeyYAHHSVLXDFWBBT-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.23
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine

1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine (PubChem CID 67984399) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine
PubChem CID67984399
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine
SMILESCc1cc2cc(N)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2/c1-11-8-13-9-15(18)6-7-16(13)19(11)10-12-2-4-14(17)5-3-12/h2-9H,10,18H2,1H3
InChIKeyYAHHSVLXDFWBBT-UHFFFAOYSA-N
XLogP4.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine (CID 67984399) is 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine is Cc1cc2cc(N)ccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine?
The InChIKey is YAHHSVLXDFWBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-8-13-9-15(18)6-7-16(13)19(11)10-12-2-4-14(17)5-3-12/h2-9H,10,18H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine?
1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine has a molecular weight of 270.76 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-methylindol-5-amine is sourced from PubChem (CID 67984399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).