[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol

C15H21F3N2O — CID 103965395

IUPAC[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
SMILESNc1ccc(NCC2(CO)CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)12-8-11(4-5-13(12)19)20-9-14(10-21)6-2-1-3-7-14/h4-5,8,20-21H,1-3,6-7,9-10,19H2
InChIKeyGLDMXXPLCSISFR-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.64
Rot. Bonds4

About [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol

[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol (PubChem CID 103965395) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
PubChem CID103965395
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
SMILESNc1ccc(NCC2(CO)CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)12-8-11(4-5-13(12)19)20-9-14(10-21)6-2-1-3-7-14/h4-5,8,20-21H,1-3,6-7,9-10,19H2
InChIKeyGLDMXXPLCSISFR-UHFFFAOYSA-N
XLogP3.64
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70681012
cis-(1S,5R)-3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70687374
2-((4-Amino-2-(trifluoromethyl)phenyl)amino)ethanol
CID 14473049
6-[4-(Trifluoromethyl)anilino]hexan-1-ol
CID 103801964
(2S)-2-[(2S,4R)-2,4-dimethyl-4-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrolidin-1-yl]-2-phenylethanol
CID 139260903
1-[4-Amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 14473051
3-[4-Amino-2-(trifluoromethyl)anilino]propan-1-ol
CID 14473052
3-[4-Amino-2-(trifluoromethyl)anilino]propane-1,2-diol
CID 14473054
2-[4-Amino-3-(trifluoromethyl)anilino]ethanol
CID 14473055
2-[4-Amino-2-[4-(trifluoromethyl)phenyl]anilino]ethanol
CID 17936056
2-[4-Amino-2-(2-fluorophenyl)anilino]ethanol
CID 18371230
3-[4-Amino-2-[4-(trifluoromethyl)phenyl]anilino]propane-1,2-diol
CID 18371319

Frequently Asked Questions

What is the IUPAC name of [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol (CID 103965395) is [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol is Nc1ccc(NCC2(CO)CCCCC2)cc1C(F)(F)F.
What is the InChIKey of [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
The InChIKey is GLDMXXPLCSISFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)12-8-11(4-5-13(12)19)20-9-14(10-21)6-2-1-3-7-14/h4-5,8,20-21H,1-3,6-7,9-10,19H2.
What are the key properties of [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol has a molecular weight of 302.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).