1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine

C14H20FNO2 — CID 117386100

IUPAC1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
SMILESCOc1c(F)cc(C)c(C2(N)CCCC2)c1OC
InChIInChI=1S/C14H20FNO2/c1-9-8-10(15)12(17-2)13(18-3)11(9)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeyAPUCRXRRZSHVPO-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine

1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine (PubChem CID 117386100) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
PubChem CID117386100
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
SMILESCOc1c(F)cc(C)c(C2(N)CCCC2)c1OC
InChIInChI=1S/C14H20FNO2/c1-9-8-10(15)12(17-2)13(18-3)11(9)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeyAPUCRXRRZSHVPO-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117489156
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84780719
1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
CID 117386300
1-fluoro-4-(1-isocyanatocyclopentyl)-2,3-dimethoxy-5-methylbenzene
CID 117447718
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine (CID 117386100) is 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine is COc1c(F)cc(C)c(C2(N)CCCC2)c1OC.
What is the InChIKey of 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine?
The InChIKey is APUCRXRRZSHVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-8-10(15)12(17-2)13(18-3)11(9)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3.
What are the key properties of 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine?
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine has a molecular weight of 253.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117386100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).