(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine

C14H13ClFN — CID 115828038

IUPAC(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccccc2F)ccc1Cl
InChIInChI=1S/C14H13ClFN/c1-9-8-10(6-7-12(9)15)14(17)11-4-2-3-5-13(11)16/h2-8,14H,17H2,1H3
InChIKeyQVIUOAIKFGWIGR-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.84
Rot. Bonds2

About (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine

(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine (PubChem CID 115828038) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
PubChem CID115828038
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccccc2F)ccc1Cl
InChIInChI=1S/C14H13ClFN/c1-9-8-10(6-7-12(9)15)14(17)11-4-2-3-5-13(11)16/h2-8,14H,17H2,1H3
InChIKeyQVIUOAIKFGWIGR-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761
(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine?
The IUPAC name of (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine (CID 115828038) is (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine?
The canonical SMILES for (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine is Cc1cc(C(N)c2ccccc2F)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine?
The InChIKey is QVIUOAIKFGWIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-9-8-10(6-7-12(9)15)14(17)11-4-2-3-5-13(11)16/h2-8,14H,17H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine?
(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine has a molecular weight of 249.72 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine is sourced from PubChem (CID 115828038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).