[2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine

C14H13ClFN — CID 19807632

IUPAC[2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine
SMILESCc1cc(-c2cccc(Cl)c2CN)ccc1F
InChIInChI=1S/C14H13ClFN/c1-9-7-10(5-6-14(9)16)11-3-2-4-13(15)12(11)8-17/h2-7H,8,17H2,1H3
InChIKeyRELWJKLXPLYPJF-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.91
Rot. Bonds2

About [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine

[2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine (PubChem CID 19807632) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine
PubChem CID19807632
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name[2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine
SMILESCc1cc(-c2cccc(Cl)c2CN)ccc1F
InChIInChI=1S/C14H13ClFN/c1-9-7-10(5-6-14(9)16)11-3-2-4-13(15)12(11)8-17/h2-7H,8,17H2,1H3
InChIKeyRELWJKLXPLYPJF-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine (CID 19807632) is [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine is Cc1cc(-c2cccc(Cl)c2CN)ccc1F.
What is the InChIKey of [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine?
The InChIKey is RELWJKLXPLYPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-9-7-10(5-6-14(9)16)11-3-2-4-13(15)12(11)8-17/h2-7H,8,17H2,1H3.
What are the key properties of [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine?
[2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine has a molecular weight of 249.72 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 19807632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).