6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine

C14H19F2NO — CID 79834962

IUPAC6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(Oc2cc(F)cc(F)c2)C1N
InChIInChI=1S/C14H19F2NO/c1-14(2)5-3-4-12(13(14)17)18-11-7-9(15)6-10(16)8-11/h6-8,12-13H,3-5,17H2,1-2H3
InChIKeyHSAZEOCUISYMTD-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.25
Rot. Bonds2

About 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine

6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79834962) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine
PubChem CID79834962
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(Oc2cc(F)cc(F)c2)C1N
InChIInChI=1S/C14H19F2NO/c1-14(2)5-3-4-12(13(14)17)18-11-7-9(15)6-10(16)8-11/h6-8,12-13H,3-5,17H2,1-2H3
InChIKeyHSAZEOCUISYMTD-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3,5-difluorophenoxy)-2,2-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

Related Compounds

6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836584
6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837059
2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine
CID 79835658
6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836385
5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 79857312
2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine
CID 79836746
6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836604
2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine
CID 79836751
2-(3,5-difluorophenoxy)-4-methylcyclohexan-1-amine
CID 62783742
N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837063
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
CID 102732659
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
CID 102735545

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine (CID 79834962) is 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCC(Oc2cc(F)cc(F)c2)C1N.
What is the InChIKey of 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is HSAZEOCUISYMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(2)5-3-4-12(13(14)17)18-11-7-9(15)6-10(16)8-11/h6-8,12-13H,3-5,17H2,1-2H3.
What are the key properties of 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79834962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).