3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine

C13H17F2NO — CID 159803594

IUPAC3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine
SMILESCc1ccc(OC2C(N)CCCC2(F)F)cc1
InChIInChI=1S/C13H17F2NO/c1-9-4-6-10(7-5-9)17-12-11(16)3-2-8-13(12,14)15/h4-7,11-12H,2-3,8,16H2,1H3
InChIKeyZPSVHSYUNLFVEJ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.89
Rot. Bonds2

About 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine

3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine (PubChem CID 159803594) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine
PubChem CID159803594
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine
SMILESCc1ccc(OC2C(N)CCCC2(F)F)cc1
InChIInChI=1S/C13H17F2NO/c1-9-4-6-10(7-5-9)17-12-11(16)3-2-8-13(12,14)15/h4-7,11-12H,2-3,8,16H2,1H3
InChIKeyZPSVHSYUNLFVEJ-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-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

1-[(2,2-difluorocyclopentyl)methoxysulfanyl]-4-methylbenzene
CID 134384573
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol
CID 134300002
trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol
CID 124565378
1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene
CID 138600557
7-(4-methylphenoxy)-2-azaspiro[3.5]nonane
CID 175711448
[2,2-dimethyl-3-(4-methylphenoxy)cyclopropyl] formate
CID 57150422
(1S)-1-methyl-4-(4-methylphenoxy)cycloheptane
CID 142216583
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
cis-(1R,3R)-3-(4-bromophenoxy)-2,2-difluoro-1-methylcyclohexan-1-ol
CID 67262123
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene
CID 163551775

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine?
The IUPAC name of 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine (CID 159803594) is 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine?
The canonical SMILES for 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine is Cc1ccc(OC2C(N)CCCC2(F)F)cc1.
What is the InChIKey of 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine?
The InChIKey is ZPSVHSYUNLFVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9-4-6-10(7-5-9)17-12-11(16)3-2-8-13(12,14)15/h4-7,11-12H,2-3,8,16H2,1H3.
What are the key properties of 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine?
3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine has a molecular weight of 241.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(4-methylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 159803594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).