2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol

C15H14F3NO3 — CID 171246523

IUPAC2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol
SMILESCOc1ccc([C@H](N)c2ccc(OC(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C15H14F3NO3/c1-21-11-6-7-12(13(20)8-11)14(19)9-2-4-10(5-3-9)22-15(16,17)18/h2-8,14,20H,19H2,1H3/t14-/m1/s1
InChIKeyCFSCPRUDQFLNSQ-CQSZACIVSA-N
MW313.28 g/mol
LogP3.35
Rot. Bonds4

About 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol

2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol (PubChem CID 171246523) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol
PubChem CID171246523
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC Name2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol
SMILESCOc1ccc([C@H](N)c2ccc(OC(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C15H14F3NO3/c1-21-11-6-7-12(13(20)8-11)14(19)9-2-4-10(5-3-9)22-15(16,17)18/h2-8,14,20H,19H2,1H3/t14-/m1/s1
InChIKeyCFSCPRUDQFLNSQ-CQSZACIVSA-N
XLogP3.35
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol;hydrochloride
CID 171239810
(S)-(4-methoxy-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171244237
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-bromophenol;hydrochloride
CID 171247977
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,5-dimethoxyphenol
CID 171242038
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-(diethylamino)phenol;hydrochloride
CID 171245477
(S)-(2-bromo-5-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171241289
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
CID 171245952
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239459
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methoxyphenol
CID 66511004
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
CID 171246193

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol?
The IUPAC name of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol (CID 171246523) is 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol is COc1ccc([C@H](N)c2ccc(OC(F)(F)F)cc2)c(O)c1.
What is the InChIKey of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol?
The InChIKey is CFSCPRUDQFLNSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14F3NO3/c1-21-11-6-7-12(13(20)8-11)14(19)9-2-4-10(5-3-9)22-15(16,17)18/h2-8,14,20H,19H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol?
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol has a molecular weight of 313.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol is sourced from PubChem (CID 171246523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).