N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine

C16H23F2NO — CID 63995059

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(OC(F)F)cc2)C(C)C1
InChIInChI=1S/C16H23F2NO/c1-11-3-8-15(12(2)9-11)19-10-13-4-6-14(7-5-13)20-16(17)18/h4-7,11-12,15-16,19H,3,8-10H2,1-2H3
InChIKeyKUKBTGVRKPSWQY-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.20
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63995059) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63995059
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(OC(F)F)cc2)C(C)C1
InChIInChI=1S/C16H23F2NO/c1-11-3-8-15(12(2)9-11)19-10-13-4-6-14(7-5-13)20-16(17)18/h4-7,11-12,15-16,19H,3,8-10H2,1-2H3
InChIKeyKUKBTGVRKPSWQY-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine 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 N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine (CID 63995059) is N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2ccc(OC(F)F)cc2)C(C)C1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is KUKBTGVRKPSWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-11-3-8-15(12(2)9-11)19-10-13-4-6-14(7-5-13)20-16(17)18/h4-7,11-12,15-16,19H,3,8-10H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63995059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).