4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride

C16H17ClF3NO2 — CID 171248077

IUPAC4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride
SMILESCc1cc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc(C)c1O.Cl
InChIInChI=1S/C16H16F3NO2.ClH/c1-9-7-12(8-10(2)15(9)21)14(20)11-3-5-13(6-4-11)22-16(17,18)19;/h3-8,14,21H,20H2,1-2H3;1H/t14-;/m1./s1
InChIKeyDGNQJLLAHPZFIQ-PFEQFJNWSA-N
MW347.76 g/mol
LogP4.38
Rot. Bonds3

About 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride

4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride (PubChem CID 171248077) has the molecular formula C16H17ClF3NO2 and a molecular weight of 347.76 g/mol. Its IUPAC name is 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride
PubChem CID171248077
Molecular FormulaC16H17ClF3NO2
Molecular Weight347.76 g/mol
Exact Mass347.09
IUPAC Name4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride
SMILESCc1cc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc(C)c1O.Cl
InChIInChI=1S/C16H16F3NO2.ClH/c1-9-7-12(8-10(2)15(9)21)14(20)11-3-5-13(6-4-11)22-16(17,18)19;/h3-8,14,21H,20H2,1-2H3;1H/t14-;/m1./s1
InChIKeyDGNQJLLAHPZFIQ-PFEQFJNWSA-N
XLogP4.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
CID 171246193
6-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253436
6-amino-2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-methylphenol;hydrochloride
CID 171256940
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 105016494
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-bromo-6-methylphenol;hydrochloride
CID 171256311
4-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromo-6-methoxyphenol
CID 171241821
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol
CID 171257315
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-bromo-3,5-dimethylphenol;hydrochloride
CID 171254288

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride?
The IUPAC name of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride (CID 171248077) is 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride is Cc1cc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc(C)c1O.Cl.
What is the InChIKey of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride?
The InChIKey is DGNQJLLAHPZFIQ-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H16F3NO2.ClH/c1-9-7-12(8-10(2)15(9)21)14(20)11-3-5-13(6-4-11)22-16(17,18)19;/h3-8,14,21H,20H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride?
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride has a molecular weight of 347.76 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride is sourced from PubChem (CID 171248077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).