[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine

C14H19F2NO — CID 117391281

IUPAC[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cc(F)c(C2(CN)CCCCC2)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-18-10-7-11(15)13(12(16)8-10)14(9-17)5-3-2-4-6-14/h7-8H,2-6,9,17H2,1H3
InChIKeyZJZXPMBZWIUQMI-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.13
Rot. Bonds3

About [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine

[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine (PubChem CID 117391281) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
PubChem CID117391281
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cc(F)c(C2(CN)CCCCC2)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-18-10-7-11(15)13(12(16)8-10)14(9-17)5-3-2-4-6-14/h7-8H,2-6,9,17H2,1H3
InChIKeyZJZXPMBZWIUQMI-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
CID 117386080
4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
CID 84791406
[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
CID 84799753
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine
CID 117476076
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine (CID 117391281) is [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine is COc1cc(F)c(C2(CN)CCCCC2)c(F)c1.
What is the InChIKey of [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine?
The InChIKey is ZJZXPMBZWIUQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-18-10-7-11(15)13(12(16)8-10)14(9-17)5-3-2-4-6-14/h7-8H,2-6,9,17H2,1H3.
What are the key properties of [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine?
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117391281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).