1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine

C14H19F2NO — CID 117391231

IUPAC1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1ccc(C(F)F)c(C2(N)CCCCC2)c1
InChIInChI=1S/C14H19F2NO/c1-18-10-5-6-11(13(15)16)12(9-10)14(17)7-3-2-4-8-14/h5-6,9,13H,2-4,7-8,17H2,1H3
InChIKeyXZJXAWSUAOSDKD-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.75
Rot. Bonds3

About 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine

1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine (PubChem CID 117391231) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
PubChem CID117391231
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1ccc(C(F)F)c(C2(N)CCCCC2)c1
InChIInChI=1S/C14H19F2NO/c1-18-10-5-6-11(13(15)16)12(9-10)14(17)7-3-2-4-8-14/h5-6,9,13H,2-4,7-8,17H2,1H3
InChIKeyXZJXAWSUAOSDKD-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
CID 117323744
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428766
1-(difluoromethyl)-2-(1-isocyanatocyclopentyl)-4-methoxybenzene
CID 117421277
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 84798785
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117357088
1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine
CID 84785745
1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
CID 84797636
1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117328612
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
CID 117355108
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine
CID 117421996
2-(difluoromethyl)-4-methoxyaniline
CID 45091134

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine (CID 117391231) is 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine is COc1ccc(C(F)F)c(C2(N)CCCCC2)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine?
The InChIKey is XZJXAWSUAOSDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-18-10-5-6-11(13(15)16)12(9-10)14(17)7-3-2-4-8-14/h5-6,9,13H,2-4,7-8,17H2,1H3.
What are the key properties of 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine?
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine is sourced from PubChem (CID 117391231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).