(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C15H13ClF3NO2 — CID 171251371

IUPAC(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc(Cl)cc1[C@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO2/c1-21-13-7-4-10(16)8-12(13)14(20)9-2-5-11(6-3-9)22-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m1/s1
InChIKeyAIBNNMLXQXPHGP-CQSZACIVSA-N
MW331.72 g/mol
LogP4.30
Rot. Bonds4

About (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171251371) has the molecular formula C15H13ClF3NO2 and a molecular weight of 331.72 g/mol. Its IUPAC name is (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171251371
Molecular FormulaC15H13ClF3NO2
Molecular Weight331.72 g/mol
Exact Mass331.06
IUPAC Name(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc(Cl)cc1[C@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO2/c1-21-13-7-4-10(16)8-12(13)14(20)9-2-5-11(6-3-9)22-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m1/s1
InChIKeyAIBNNMLXQXPHGP-CQSZACIVSA-N
XLogP4.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171250333
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248230
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(R)-(2-bromo-4,5-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245830
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-chloro-6-fluorophenol
CID 171255948
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171248315
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237

Frequently Asked Questions

What is the IUPAC name of (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171251371) is (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is COc1ccc(Cl)cc1[C@H](N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is AIBNNMLXQXPHGP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13ClF3NO2/c1-21-13-7-4-10(16)8-12(13)14(20)9-2-5-11(6-3-9)22-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m1/s1.
What are the key properties of (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 331.72 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171251371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).