3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol

C16H22F3NO — CID 103785891

IUPAC3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCC(O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-11(20-10-12-4-2-7-15(21)8-12)13-5-3-6-14(9-13)16(17,18)19/h3,5-6,9,11-12,15,20-21H,2,4,7-8,10H2,1H3
InChIKeyZBWIROIVZREAFY-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.91
Rot. Bonds4

About 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol

3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol (PubChem CID 103785891) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
PubChem CID103785891
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCC(O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-11(20-10-12-4-2-7-15(21)8-12)13-5-3-6-14(9-13)16(17,18)19/h3,5-6,9,11-12,15,20-21H,2,4,7-8,10H2,1H3
InChIKeyZBWIROIVZREAFY-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol 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

N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250
N-(thiolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 80584198
1-[(3-hydroxycyclohexyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 111503910
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728
3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785860
N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111459667
1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 95733802
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 110894959

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol (CID 103785891) is 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol is CC(NCC1CCCC(O)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is ZBWIROIVZREAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11(20-10-12-4-2-7-15(21)8-12)13-5-3-6-14(9-13)16(17,18)19/h3,5-6,9,11-12,15,20-21H,2,4,7-8,10H2,1H3.
What are the key properties of 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol?
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 301.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).