2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol

C14H20F2N2O — CID 54993772

IUPAC2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
SMILESNc1cc(F)c(N(CCO)C2CCCCC2)c(F)c1
InChIInChI=1S/C14H20F2N2O/c15-12-8-10(17)9-13(16)14(12)18(6-7-19)11-4-2-1-3-5-11/h8-9,11,19H,1-7,17H2
InChIKeyIJKGICZCLBZGHX-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol

2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol (PubChem CID 54993772) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
PubChem CID54993772
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
SMILESNc1cc(F)c(N(CCO)C2CCCCC2)c(F)c1
InChIInChI=1S/C14H20F2N2O/c15-12-8-10(17)9-13(16)14(12)18(6-7-19)11-4-2-1-3-5-11/h8-9,11,19H,1-7,17H2
InChIKeyIJKGICZCLBZGHX-UHFFFAOYSA-N
XLogP2.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol 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

2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol
CID 63076112
2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
CID 102859499
3-(4-amino-N-cyclopropyl-2,6-difluoroanilino)propanenitrile
CID 54996513
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol
CID 102859479
2-[(5-amino-3-pyridinyl)-cyclohexylamino]ethanol
CID 104533748
[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 63078093
2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
4-[cyclobutyl(3-hydroxypropyl)amino]-3,5-difluorobenzoic acid
CID 102863139
3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
CID 102859257
4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859183

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol?
The IUPAC name of 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol (CID 54993772) is 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol.
What is the SMILES notation for 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol?
The canonical SMILES for 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol is Nc1cc(F)c(N(CCO)C2CCCCC2)c(F)c1.
What is the InChIKey of 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol?
The InChIKey is IJKGICZCLBZGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c15-12-8-10(17)9-13(16)14(12)18(6-7-19)11-4-2-1-3-5-11/h8-9,11,19H,1-7,17H2.
What are the key properties of 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol?
2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol has a molecular weight of 270.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol is sourced from PubChem (CID 54993772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).