(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine

C15H15ClFN — CID 63081418

IUPAC(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H15ClFN/c1-9-5-10(2)7-11(6-9)15(18)13-4-3-12(16)8-14(13)17/h3-8,15H,18H2,1-2H3
InChIKeyGFZOAVSRPRAGRE-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.14
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine

(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine (PubChem CID 63081418) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
PubChem CID63081418
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H15ClFN/c1-9-5-10(2)7-11(6-9)15(18)13-4-3-12(16)8-14(13)17/h3-8,15H,18H2,1-2H3
InChIKeyGFZOAVSRPRAGRE-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
CID 81323932
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 105016596
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43107900
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine (CID 63081418) is (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2ccc(Cl)cc2F)c1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine?
The InChIKey is GFZOAVSRPRAGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-9-5-10(2)7-11(6-9)15(18)13-4-3-12(16)8-14(13)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine?
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine has a molecular weight of 263.74 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 63081418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).