1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine

C14H20FNO2 — CID 117386080

IUPAC1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(F)c(C2(N)CCCCC2)c(OC)c1
InChIInChI=1S/C14H20FNO2/c1-17-10-8-11(15)13(12(9-10)18-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeySDAQHDRTIWMZRM-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine

1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine (PubChem CID 117386080) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
PubChem CID117386080
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(F)c(C2(N)CCCCC2)c(OC)c1
InChIInChI=1S/C14H20FNO2/c1-17-10-8-11(15)13(12(9-10)18-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeySDAQHDRTIWMZRM-UHFFFAOYSA-N
XLogP2.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
CID 84799753
1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 84802273
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
CID 84809508
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
CID 84787805
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
CID 117451883
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine (CID 117386080) is 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine is COc1cc(F)c(C2(N)CCCCC2)c(OC)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine?
The InChIKey is SDAQHDRTIWMZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-10-8-11(15)13(12(9-10)18-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine?
1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine has a molecular weight of 253.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117386080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).