(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C15H13F4NO2 — CID 171248230

IUPAC(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1cccc([C@H](N)c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C15H13F4NO2/c1-21-12-4-2-3-11(13(12)16)14(20)9-5-7-10(8-6-9)22-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m1/s1
InChIKeyCAMXUZRRMQXWFD-CQSZACIVSA-N
MW315.27 g/mol
LogP3.78
Rot. Bonds4

About (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171248230) has the molecular formula C15H13F4NO2 and a molecular weight of 315.27 g/mol. Its IUPAC name is (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171248230
Molecular FormulaC15H13F4NO2
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC Name(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1cccc([C@H](N)c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C15H13F4NO2/c1-21-12-4-2-3-11(13(12)16)14(20)9-5-7-10(8-6-9)22-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m1/s1
InChIKeyCAMXUZRRMQXWFD-CQSZACIVSA-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)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
(S)-(3-fluoro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240227
(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171249000
(S)-(2,3-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240516
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-methoxyphenol
CID 171251792
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255541
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
ethane;2-fluoro-1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 176686233
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 82793131
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853

Frequently Asked Questions

What is the IUPAC name of (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171248230) is (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is COc1cccc([C@H](N)c2ccc(OC(F)(F)F)cc2)c1F.
What is the InChIKey of (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is CAMXUZRRMQXWFD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13F4NO2/c1-21-12-4-2-3-11(13(12)16)14(20)9-5-7-10(8-6-9)22-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m1/s1.
What are the key properties of (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-(2-fluoro-3-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 (R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171248230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).