1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine

C13H17F2NO — CID 84800959

IUPAC1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(F)c(C2(N)CCCCC2)c1F
InChIInChI=1S/C13H17F2NO/c1-17-10-6-5-9(14)11(12(10)15)13(16)7-3-2-4-8-13/h5-6H,2-4,7-8,16H2,1H3
InChIKeyCJHFAJPWIOOVQO-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.09
Rot. Bonds2

About 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine

1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine (PubChem CID 84800959) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
PubChem CID84800959
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(F)c(C2(N)CCCCC2)c1F
InChIInChI=1S/C13H17F2NO/c1-17-10-6-5-9(14)11(12(10)15)13(16)7-3-2-4-8-13/h5-6H,2-4,7-8,16H2,1H3
InChIKeyCJHFAJPWIOOVQO-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
CID 117451883
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(2,6-difluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 84775707
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652
1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
CID 117386080
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
CID 84799753
1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
3-(1-aminocyclobutyl)-2,4-difluorophenol
CID 117288339
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine (CID 84800959) is 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine is COc1ccc(F)c(C2(N)CCCCC2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine?
The InChIKey is CJHFAJPWIOOVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-10-6-5-9(14)11(12(10)15)13(16)7-3-2-4-8-13/h5-6H,2-4,7-8,16H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine?
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine has a molecular weight of 241.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 84800959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).