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

C13H18FNO2 — CID 84799753

IUPAC1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(F)c(C2(N)CCCC2)c(OC)c1
InChIInChI=1S/C13H18FNO2/c1-16-9-7-10(14)12(11(8-9)17-2)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyZNNKJKSZLAVBPM-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.57
Rot. Bonds3

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

1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine (PubChem CID 84799753) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
PubChem CID84799753
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(F)c(C2(N)CCCC2)c(OC)c1
InChIInChI=1S/C13H18FNO2/c1-16-9-7-10(14)12(11(8-9)17-2)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyZNNKJKSZLAVBPM-UHFFFAOYSA-N
XLogP2.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
CID 117386080
1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 84802273
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
CID 84809508
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
CID 84787805
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine (CID 84799753) is 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine is COc1cc(F)c(C2(N)CCCC2)c(OC)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine?
The InChIKey is ZNNKJKSZLAVBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-9-7-10(14)12(11(8-9)17-2)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine?
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine has a molecular weight of 239.29 g/mol, XLogP of 2.57, 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)cyclopentan-1-amine is sourced from PubChem (CID 84799753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).