cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one

C16H20F3NO2 — CID 169100263

IUPACcis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESCN[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[C@](C)(OC)C1=O
InChIInChI=1S/C16H20F3NO2/c1-14(22-3)9-4-10-15(20-2,13(14)21)11-5-7-12(8-6-11)16(17,18)19/h5-8,20H,4,9-10H2,1-3H3/t14-,15+/m0/s1
InChIKeyZXWMDLOFZYMRSK-LSDHHAIUSA-N
MW315.34 g/mol
LogP3.28
Rot. Bonds3

About cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one

cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one (PubChem CID 169100263) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
PubChem CID169100263
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Namecis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESCN[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[C@](C)(OC)C1=O
InChIInChI=1S/C16H20F3NO2/c1-14(22-3)9-4-10-15(20-2,13(14)21)11-5-7-12(8-6-11)16(17,18)19/h5-8,20H,4,9-10H2,1-3H3/t14-,15+/m0/s1
InChIKeyZXWMDLOFZYMRSK-LSDHHAIUSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one 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

(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156803398
cis-(2R,6S)-2-(ethylamino)-6-hydroxy-6-methyl-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 169100269
2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 135004378
2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 169100260
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
N-[(1-methoxycyclobutyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103991656
(2R)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 172627580
3-methyl-3-[4-(trifluoromethyl)phenyl]oxolan-2-one
CID 121003172
(3S)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 134963192
1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
CID 110490845
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 79834999
2-[3-fluoro-2-(trifluoromethyl)phenyl]-6-hydroxy-6-methyl-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 169100306

Frequently Asked Questions

What is the IUPAC name of cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The IUPAC name of cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one (CID 169100263) is cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The canonical SMILES for cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one is CN[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[C@](C)(OC)C1=O.
What is the InChIKey of cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The InChIKey is ZXWMDLOFZYMRSK-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-14(22-3)9-4-10-15(20-2,13(14)21)11-5-7-12(8-6-11)16(17,18)19/h5-8,20H,4,9-10H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one has a molecular weight of 315.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 169100263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).