[2-(3-chloro-4-methylphenyl)phenyl]methanamine

C14H14ClN — CID 115504087

IUPAC[2-(3-chloro-4-methylphenyl)phenyl]methanamine
SMILESCc1ccc(-c2ccccc2CN)cc1Cl
InChIInChI=1S/C14H14ClN/c1-10-6-7-11(8-14(10)15)13-5-3-2-4-12(13)9-16/h2-8H,9,16H2,1H3
InChIKeyGVJYRZMFTJZPPF-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.77
Rot. Bonds2

About [2-(3-chloro-4-methylphenyl)phenyl]methanamine

[2-(3-chloro-4-methylphenyl)phenyl]methanamine (PubChem CID 115504087) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is [2-(3-chloro-4-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-methylphenyl)phenyl]methanamine
PubChem CID115504087
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name[2-(3-chloro-4-methylphenyl)phenyl]methanamine
SMILESCc1ccc(-c2ccccc2CN)cc1Cl
InChIInChI=1S/C14H14ClN/c1-10-6-7-11(8-14(10)15)13-5-3-2-4-12(13)9-16/h2-8H,9,16H2,1H3
InChIKeyGVJYRZMFTJZPPF-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylphenyl)phenyl]methanamine?
The IUPAC name of [2-(3-chloro-4-methylphenyl)phenyl]methanamine (CID 115504087) is [2-(3-chloro-4-methylphenyl)phenyl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-methylphenyl)phenyl]methanamine?
The canonical SMILES for [2-(3-chloro-4-methylphenyl)phenyl]methanamine is Cc1ccc(-c2ccccc2CN)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylphenyl)phenyl]methanamine?
The InChIKey is GVJYRZMFTJZPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-10-6-7-11(8-14(10)15)13-5-3-2-4-12(13)9-16/h2-8H,9,16H2,1H3.
What are the key properties of [2-(3-chloro-4-methylphenyl)phenyl]methanamine?
[2-(3-chloro-4-methylphenyl)phenyl]methanamine has a molecular weight of 231.73 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 115504087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).