(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine

C15H15ClFNO — CID 105024991

IUPAC(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc(Cl)ccc2C)c1F
InChIInChI=1S/C15H15ClFNO/c1-9-6-7-10(16)8-12(9)15(18)11-4-3-5-13(19-2)14(11)17/h3-8,15H,18H2,1-2H3
InChIKeyGKPYLOXAMGWQGL-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.84
Rot. Bonds3

About (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine

(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105024991) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID105024991
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc(Cl)ccc2C)c1F
InChIInChI=1S/C15H15ClFNO/c1-9-6-7-10(16)8-12(9)15(18)11-4-3-5-13(19-2)14(11)17/h3-8,15H,18H2,1-2H3
InChIKeyGKPYLOXAMGWQGL-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 105024991) is (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cc(Cl)ccc2C)c1F.
What is the InChIKey of (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is GKPYLOXAMGWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-6-7-10(16)8-12(9)15(18)11-4-3-5-13(19-2)14(11)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 279.74 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105024991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).