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

C15H13ClF3NO — CID 171250333

IUPAC(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cc(Cl)ccc1[C@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c1-9-8-11(16)4-7-13(9)14(20)10-2-5-12(6-3-10)21-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m1/s1
InChIKeyYOCKFCSSZLMZJZ-CQSZACIVSA-N
MW315.72 g/mol
LogP4.60
Rot. Bonds3

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

(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171250333) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is (R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171250333
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cc(Cl)ccc1[C@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c1-9-8-11(16)4-7-13(9)14(20)10-2-5-12(6-3-10)21-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m1/s1
InChIKeyYOCKFCSSZLMZJZ-CQSZACIVSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-methoxy-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171244237
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241069
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-chloro-6-fluorophenol
CID 171255948
(S)-(2,3-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240516
(S)-(4-methylnaphthalen-1-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242636
6-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253436
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol
CID 171256466
(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248862
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
CID 171245952
(R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171249515

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171250333) is (R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is Cc1cc(Cl)ccc1[C@H](N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is YOCKFCSSZLMZJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-9-8-11(16)4-7-13(9)14(20)10-2-5-12(6-3-10)21-15(17,18)19/h2-8,14H,20H2,1H3/t14-/m1/s1.
What are the key properties of (R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 315.72 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171250333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).