2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol

C15H13F4NO2 — CID 171257315

IUPAC2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol
SMILESCc1ccc(F)c([C@H](N)c2ccc(OC(F)(F)F)cc2)c1O
InChIInChI=1S/C15H13F4NO2/c1-8-2-7-11(16)12(14(8)21)13(20)9-3-5-10(6-4-9)22-15(17,18)19/h2-7,13,21H,20H2,1H3/t13-/m1/s1
InChIKeyYBZMVUAVLJSUKP-CYBMUJFWSA-N
MW315.27 g/mol
LogP3.79
Rot. Bonds3

About 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol

2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol (PubChem CID 171257315) has the molecular formula C15H13F4NO2 and a molecular weight of 315.27 g/mol. Its IUPAC name is 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol
PubChem CID171257315
Molecular FormulaC15H13F4NO2
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC Name2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol
SMILESCc1ccc(F)c([C@H](N)c2ccc(OC(F)(F)F)cc2)c1O
InChIInChI=1S/C15H13F4NO2/c1-8-2-7-11(16)12(14(8)21)13(20)9-3-5-10(6-4-9)22-15(17,18)19/h2-7,13,21H,20H2,1H3/t13-/m1/s1
InChIKeyYBZMVUAVLJSUKP-CYBMUJFWSA-N
XLogP3.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-bromo-6-methylphenol;hydrochloride
CID 171256311
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-methyl-3-nitrophenol
CID 171258660
6-amino-2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-methylphenol;hydrochloride
CID 171256940
6-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253436
(R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171249515
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride
CID 171248077
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol
CID 171256466
(R)-(2,3,5,6-tetrafluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171249914
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol
CID 171256661
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluorophenol
CID 171239131
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-chloro-6-fluorophenol
CID 171255948
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-bromo-3,5-dimethylphenol;hydrochloride
CID 171254288

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol?
The IUPAC name of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol (CID 171257315) is 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol.
What is the SMILES notation for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol?
The canonical SMILES for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol is Cc1ccc(F)c([C@H](N)c2ccc(OC(F)(F)F)cc2)c1O.
What is the InChIKey of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol?
The InChIKey is YBZMVUAVLJSUKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13F4NO2/c1-8-2-7-11(16)12(14(8)21)13(20)9-3-5-10(6-4-9)22-15(17,18)19/h2-7,13,21H,20H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol?
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol has a molecular weight of 315.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol is sourced from PubChem (CID 171257315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).