(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C15H13F4NO2 — CID 171239584

IUPAC(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H13F4NO2/c1-21-11-6-7-12(13(16)8-11)14(20)9-2-4-10(5-3-9)22-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m0/s1
InChIKeyGMCJGEKEJGUPNO-AWEZNQCLSA-N
MW315.27 g/mol
LogP3.78
Rot. Bonds4

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

(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171239584) has the molecular formula C15H13F4NO2 and a molecular weight of 315.27 g/mol. Its IUPAC name is (S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171239584
Molecular FormulaC15H13F4NO2
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC Name(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H13F4NO2/c1-21-11-6-7-12(13(16)8-11)14(20)9-2-4-10(5-3-9)22-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m0/s1
InChIKeyGMCJGEKEJGUPNO-AWEZNQCLSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-methoxy-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171244237
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43561305
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol
CID 171246523
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol;hydrochloride
CID 171239810
(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248862
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
CID 171245952
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(S)-(2-bromo-5-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171241289
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239459
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371

Frequently Asked Questions

What is the IUPAC name of (S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171239584) is (S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is COc1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)c(F)c1.
What is the InChIKey of (S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is GMCJGEKEJGUPNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13F4NO2/c1-21-11-6-7-12(13(16)8-11)14(20)9-2-4-10(5-3-9)22-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m0/s1.
What are the key properties of (S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 315.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171239584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).