[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine

C14H20FNO — CID 84798723

IUPAC[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(C)cc1F
InChIInChI=1S/C14H20FNO/c1-10-7-12(15)13(17-2)8-11(10)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyNFXAIOOKMPGAQV-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.91
Rot. Bonds3

About [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine

[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine (PubChem CID 84798723) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
PubChem CID84798723
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(C)cc1F
InChIInChI=1S/C14H20FNO/c1-10-7-12(15)13(17-2)8-11(10)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyNFXAIOOKMPGAQV-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopropan-1-ol
CID 84773917
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine (CID 84798723) is [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine is COc1cc(C2(CN)CCCC2)c(C)cc1F.
What is the InChIKey of [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine?
The InChIKey is NFXAIOOKMPGAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-7-12(15)13(17-2)8-11(10)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3.
What are the key properties of [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine?
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 84798723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).