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

C15H15F2NO — CID 115851839

IUPAC(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(F)ccc2C)ccc1F
InChIInChI=1S/C15H15F2NO/c1-9-3-5-11(16)8-12(9)15(18)10-4-6-13(17)14(7-10)19-2/h3-8,15H,18H2,1-2H3
InChIKeyDNOJPLFKKIUDGQ-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.33
Rot. Bonds3

About (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine

(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 115851839) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID115851839
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(F)ccc2C)ccc1F
InChIInChI=1S/C15H15F2NO/c1-9-3-5-11(16)8-12(9)15(18)10-4-6-13(17)14(7-10)19-2/h3-8,15H,18H2,1-2H3
InChIKeyDNOJPLFKKIUDGQ-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105046046
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038146
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine (CID 115851839) is (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine is COc1cc(C(N)c2cc(F)ccc2C)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is DNOJPLFKKIUDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-9-3-5-11(16)8-12(9)15(18)10-4-6-13(17)14(7-10)19-2/h3-8,15H,18H2,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine?
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 263.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 115851839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).