[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine

C15H15ClFN — CID 114060514

IUPAC[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine
SMILESCc1cc(-c2cc(F)ccc2CN)c(C)cc1Cl
InChIInChI=1S/C15H15ClFN/c1-9-6-15(16)10(2)5-13(9)14-7-12(17)4-3-11(14)8-18/h3-7H,8,18H2,1-2H3
InChIKeyMVFYBZPQACYBFF-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.22
Rot. Bonds2

About [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine

[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine (PubChem CID 114060514) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine
PubChem CID114060514
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine
SMILESCc1cc(-c2cc(F)ccc2CN)c(C)cc1Cl
InChIInChI=1S/C15H15ClFN/c1-9-6-15(16)10(2)5-13(9)14-7-12(17)4-3-11(14)8-18/h3-7H,8,18H2,1-2H3
InChIKeyMVFYBZPQACYBFF-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine
CID 81441213
1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone
CID 114068685
[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine
CID 172653787
(4-chloro-2,5-dimethylphenyl)methanamine
CID 22980871
[2-(2-chloro-5-fluorophenyl)phenyl]methanamine
CID 105395671
[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride
CID 172653793
[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818
(4-fluoro-2-phenylphenyl)methanamine
CID 46314898
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]methanamine
CID 134631525
[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine
CID 89351224

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine (CID 114060514) is [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine is Cc1cc(-c2cc(F)ccc2CN)c(C)cc1Cl.
What is the InChIKey of [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine?
The InChIKey is MVFYBZPQACYBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-9-6-15(16)10(2)5-13(9)14-7-12(17)4-3-11(14)8-18/h3-7H,8,18H2,1-2H3.
What are the key properties of [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine?
[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine has a molecular weight of 263.74 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 114060514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).