1-[(2-chlorophenyl)methyl]-2-methylindole

C16H14ClN — CID 4050112

IUPAC1-[(2-chlorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H14ClN/c1-12-10-13-6-3-5-9-16(13)18(12)11-14-7-2-4-8-15(14)17/h2-10H,11H2,1H3
InChIKeyDHSITAYAFZMDOY-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.65
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-2-methylindole

1-[(2-chlorophenyl)methyl]-2-methylindole (PubChem CID 4050112) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-methylindole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-methylindole
PubChem CID4050112
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name1-[(2-chlorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H14ClN/c1-12-10-13-6-3-5-9-16(13)18(12)11-14-7-2-4-8-15(14)17/h2-10H,11H2,1H3
InChIKeyDHSITAYAFZMDOY-UHFFFAOYSA-N
XLogP4.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methylindole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methylindole (CID 4050112) is 1-[(2-chlorophenyl)methyl]-2-methylindole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-methylindole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-methylindole is Cc1cc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-methylindole?
The InChIKey is DHSITAYAFZMDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN/c1-12-10-13-6-3-5-9-16(13)18(12)11-14-7-2-4-8-15(14)17/h2-10H,11H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-methylindole?
1-[(2-chlorophenyl)methyl]-2-methylindole has a molecular weight of 255.75 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-methylindole is sourced from PubChem (CID 4050112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).