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

C15H14F3NO2 — CID 171239727

IUPAC(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccccc1[C@@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2/c1-20-13-5-3-2-4-12(13)14(19)10-6-8-11(9-7-10)21-15(16,17)18/h2-9,14H,19H2,1H3/t14-/m0/s1
InChIKeySRVCJGOLRKCJTP-AWEZNQCLSA-N
MW297.28 g/mol
LogP3.64
Rot. Bonds4

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

(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171239727) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is (S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171239727
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccccc1[C@@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2/c1-20-13-5-3-2-4-12(13)14(19)10-6-8-11(9-7-10)21-15(16,17)18/h2-9,14H,19H2,1H3/t14-/m0/s1
InChIKeySRVCJGOLRKCJTP-AWEZNQCLSA-N
XLogP3.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248230
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
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)-(2-bromo-4,5-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245830
(S)-(3-fluoro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240227
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 62790847
(S)-(2,3-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240516
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
CID 171246193
(S)-(4-methoxy-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171244237

Frequently Asked Questions

What is the IUPAC name of (S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171239727) is (S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is COc1ccccc1[C@@H](N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is SRVCJGOLRKCJTP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-13-5-3-2-4-12(13)14(19)10-6-8-11(9-7-10)21-15(16,17)18/h2-9,14H,19H2,1H3/t14-/m0/s1.
What are the key properties of (S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 297.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171239727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).