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

C14H19F3N2O — CID 62552640

IUPAC[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol
SMILESNc1ccc(NC2(CO)CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-8-10(4-5-12(11)18)19-13(9-20)6-2-1-3-7-13/h4-5,8,19-20H,1-3,6-7,9,18H2
InChIKeyCKUQNMICDCKCOD-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.39
Rot. Bonds3

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

[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol (PubChem CID 62552640) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is [1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol
PubChem CID62552640
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol
SMILESNc1ccc(NC2(CO)CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-8-10(4-5-12(11)18)19-13(9-20)6-2-1-3-7-13/h4-5,8,19-20H,1-3,6-7,9,18H2
InChIKeyCKUQNMICDCKCOD-UHFFFAOYSA-N
XLogP3.39
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.39
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

[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 103965395
[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol
CID 11472201
[1-[4-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62649108
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclopropyl]methanol
CID 113313129
[1-(3-amino-4-nitroanilino)cyclohexyl]methanol
CID 106749253
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol
CID 62523635
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
CID 115468903
1-[4-amino-3-(trifluoromethyl)anilino]ethenol
CID 143635678
[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982

Frequently Asked Questions

What is the IUPAC name of [1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol?
The IUPAC name of [1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol (CID 62552640) is [1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol.
What is the SMILES notation for [1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol?
The canonical SMILES for [1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol is Nc1ccc(NC2(CO)CCCCC2)cc1C(F)(F)F.
What is the InChIKey of [1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol?
The InChIKey is CKUQNMICDCKCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)11-8-10(4-5-12(11)18)19-13(9-20)6-2-1-3-7-13/h4-5,8,19-20H,1-3,6-7,9,18H2.
What are the key properties of [1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol?
[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol has a molecular weight of 288.31 g/mol, XLogP of 3.39, 3 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]cyclohexyl]methanol is sourced from PubChem (CID 62552640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).