(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine

C15H14F3NO — CID 82814367

IUPAC(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(F)ccc(C)c2F)cc1F
InChIInChI=1S/C15H14F3NO/c1-8-3-5-10(16)13(14(8)18)15(19)9-4-6-12(20-2)11(17)7-9/h3-7,15H,19H2,1-2H3
InChIKeyKKJYKAZPMPINQX-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.47
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine

(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 82814367) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID82814367
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(F)ccc(C)c2F)cc1F
InChIInChI=1S/C15H14F3NO/c1-8-3-5-10(16)13(14(8)18)15(19)9-4-6-12(20-2)11(17)7-9/h3-7,15H,19H2,1-2H3
InChIKeyKKJYKAZPMPINQX-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

(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 106877521
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013679
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814873
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine (CID 82814367) is (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2c(F)ccc(C)c2F)cc1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is KKJYKAZPMPINQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-8-3-5-10(16)13(14(8)18)15(19)9-4-6-12(20-2)11(17)7-9/h3-7,15H,19H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
(2,6-difluoro-3-methylphenyl)-(3-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 (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 82814367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).