(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

C15H15ClFNO — CID 107096474

IUPAC(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(Cl)c2C)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-9-11(4-3-5-13(9)16)15(18)12-7-6-10(19-2)8-14(12)17/h3-8,15H,18H2,1-2H3
InChIKeyOEPFFDWCGAVLGT-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.84
Rot. Bonds3

About (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 107096474) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID107096474
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(Cl)c2C)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-9-11(4-3-5-13(9)16)15(18)12-7-6-10(19-2)8-14(12)17/h3-8,15H,18H2,1-2H3
InChIKeyOEPFFDWCGAVLGT-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

(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 114730389
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 81265241
(4-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197230
1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
CID 63434136
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 107096474) is (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cccc(Cl)c2C)c(F)c1.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is OEPFFDWCGAVLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-11(4-3-5-13(9)16)15(18)12-7-6-10(19-2)8-14(12)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
(3-chloro-2-methylphenyl)-(2-fluoro-4-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 (3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 107096474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).