2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol

C14H20F2N2O — CID 64929806

IUPAC2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESNc1ccc(NCC2CCCCC2O)c(C(F)F)c1
InChIInChI=1S/C14H20F2N2O/c15-14(16)11-7-10(17)5-6-12(11)18-8-9-3-1-2-4-13(9)19/h5-7,9,13-14,18-19H,1-4,8,17H2
InChIKeyTWBHYIMOULDNRN-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.17
Rot. Bonds4

About 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol

2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol (PubChem CID 64929806) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol
PubChem CID64929806
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESNc1ccc(NCC2CCCCC2O)c(C(F)F)c1
InChIInChI=1S/C14H20F2N2O/c15-14(16)11-7-10(17)5-6-12(11)18-8-9-3-1-2-4-13(9)19/h5-7,9,13-14,18-19H,1-4,8,17H2
InChIKeyTWBHYIMOULDNRN-UHFFFAOYSA-N
XLogP3.17
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[4-amino-2-(difluoromethyl)anilino]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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol (CID 64929806) is 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol is Nc1ccc(NCC2CCCCC2O)c(C(F)F)c1.
What is the InChIKey of 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol?
The InChIKey is TWBHYIMOULDNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c15-14(16)11-7-10(17)5-6-12(11)18-8-9-3-1-2-4-13(9)19/h5-7,9,13-14,18-19H,1-4,8,17H2.
What are the key properties of 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol?
2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol has a molecular weight of 270.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).