(1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol

C17H24F3NO — CID 159954904

IUPAC(1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCCCN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O
InChIInChI=1S/C17H24F3NO/c1-3-9-21(2)15-11-13(7-8-16(15)22)12-5-4-6-14(10-12)17(18,19)20/h4-6,10,13,15-16,22H,3,7-9,11H2,1-2H3/t13-,15-,16-/m0/s1
InChIKeyOCOYJSBHPSEZQD-BPUTZDHNSA-N
MW315.38 g/mol
LogP4.04
Rot. Bonds4

About (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol

(1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 159954904) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID159954904
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name(1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCCCN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O
InChIInChI=1S/C17H24F3NO/c1-3-9-21(2)15-11-13(7-8-16(15)22)12-5-4-6-14(10-12)17(18,19)20/h4-6,10,13,15-16,22H,3,7-9,11H2,1-2H3/t13-,15-,16-/m0/s1
InChIKeyOCOYJSBHPSEZQD-BPUTZDHNSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367450
N-[(5S)-2-amino-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
CID 139444020
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367568
(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 134459131
tert-butyl-[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid
CID 146472147
[(1S,2S,4S)-2-[[2-(dimethylamino)acetyl]amino]-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid
CID 139433640
3-[[(1S,2S,5S)-2-hydroxy-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]azetidine-1-carboxylic acid
CID 175073205
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid
CID 63066865
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 172692197

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 159954904) is (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is CCCN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O.
What is the InChIKey of (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is OCOYJSBHPSEZQD-BPUTZDHNSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-3-9-21(2)15-11-13(7-8-16(15)22)12-5-4-6-14(10-12)17(18,19)20/h4-6,10,13,15-16,22H,3,7-9,11H2,1-2H3/t13-,15-,16-/m0/s1.
What are the key properties of (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
(1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 315.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-[methyl(propyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 159954904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).