(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

C15H14F3NO — CID 102882947

IUPAC(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(F)c(C)cc2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-8-5-13(17)11(7-12(8)16)15(19)10-4-3-9(20-2)6-14(10)18/h3-7,15H,19H2,1-2H3
InChIKeyQYCIUNVVHSLUJH-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.47
Rot. Bonds3

About (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 102882947) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID102882947
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(F)c(C)cc2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-8-5-13(17)11(7-12(8)16)15(19)10-4-3-9(20-2)6-14(10)18/h3-7,15H,19H2,1-2H3
InChIKeyQYCIUNVVHSLUJH-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102833497
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513

Frequently Asked Questions

What is the IUPAC name of (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 102882947) is (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(F)c(C)cc2F)c(F)c1.
What is the InChIKey of (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is QYCIUNVVHSLUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-8-5-13(17)11(7-12(8)16)15(19)10-4-3-9(20-2)6-14(10)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 281.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 102882947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).