(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine

C15H13F4NO — CID 43561305

IUPAC(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(C(N)c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H13F4NO/c1-21-11-6-7-12(13(16)8-11)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyJYZKYOWWMQOKIZ-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.90
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine

(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 43561305) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID43561305
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(C(N)c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H13F4NO/c1-21-11-6-7-12(13(16)8-11)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyJYZKYOWWMQOKIZ-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248862
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82237946
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561298
5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 102882549
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 43561305) is (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine is COc1ccc(C(N)c2ccc(C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JYZKYOWWMQOKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-21-11-6-7-12(13(16)8-11)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8,14H,20H2,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 299.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43561305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).