(1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

C18H26F3NO — CID 134429534

IUPAC(1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC(C)O[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C
InChIInChI=1S/C18H26F3NO/c1-12(2)23-17-9-8-14(11-16(17)22(3)4)13-6-5-7-15(10-13)18(19,20)21/h5-7,10,12,14,16-17H,8-9,11H2,1-4H3/t14-,16-,17-/m0/s1
InChIKeyBDODVFOPXNWQBH-XIRDDKMYSA-N
MW329.41 g/mol
LogP4.70
Rot. Bonds4

About (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

(1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 134429534) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID134429534
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name(1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC(C)O[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C
InChIInChI=1S/C18H26F3NO/c1-12(2)23-17-9-8-14(11-16(17)22(3)4)13-6-5-7-15(10-13)18(19,20)21/h5-7,10,12,14,16-17H,8-9,11H2,1-4H3/t14-,16-,17-/m0/s1
InChIKeyBDODVFOPXNWQBH-XIRDDKMYSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine 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

trans-(1S,2S)-N,N-dimethyl-2-(3-phenylpropoxy)cyclohexan-1-amine
CID 71769137
3-(Dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 12549088
2-(3-Phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine
CID 50948572
3-(Dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 12549087
N,N-dimethyl-4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823885
2,6-Dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine
CID 19864358
(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 134429949
[(1S,2S,5S)-2-hydroxy-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylcarbamic acid
CID 139433641
2-(Dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 139434726
tert-butyl N-[(1S,2S,5S)-2-hydroxy-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate
CID 139444024
tert-butyl N-[(1S,2S,5S)-2-hydroxy-5-[3-methyl-5-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate
CID 139448395
(1S,2S,5S)-2-methoxy-N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;hydrochloride
CID 142330267

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 134429534) is (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is CC(C)O[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C.
What is the InChIKey of (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is BDODVFOPXNWQBH-XIRDDKMYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-12(2)23-17-9-8-14(11-16(17)22(3)4)13-6-5-7-15(10-13)18(19,20)21/h5-7,10,12,14,16-17H,8-9,11H2,1-4H3/t14-,16-,17-/m0/s1.
What are the key properties of (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
(1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 329.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-N,N-dimethyl-2-propan-2-yloxy-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 134429534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).