2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine

C16H24FNO — CID 65305595

IUPAC2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine
SMILESCOc1ccc(CCC2(CCN)CCCC2)cc1F
InChIInChI=1S/C16H24FNO/c1-19-15-5-4-13(12-14(15)17)6-9-16(10-11-18)7-2-3-8-16/h4-5,12H,2-3,6-11,18H2,1H3
InChIKeyCPYYVDFZHKVGQJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.68
Rot. Bonds6

About 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine

2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine (PubChem CID 65305595) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine
PubChem CID65305595
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine
SMILESCOc1ccc(CCC2(CCN)CCCC2)cc1F
InChIInChI=1S/C16H24FNO/c1-19-15-5-4-13(12-14(15)17)6-9-16(10-11-18)7-2-3-8-16/h4-5,12H,2-3,6-11,18H2,1H3
InChIKeyCPYYVDFZHKVGQJ-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine
CID 104662944
2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine
CID 65305933
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185
2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65303673
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine
CID 90212397
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251546
1-[1-(aminomethyl)cyclopropyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116601105

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine?
The IUPAC name of 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine (CID 65305595) is 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine.
What is the SMILES notation for 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine?
The canonical SMILES for 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine is COc1ccc(CCC2(CCN)CCCC2)cc1F.
What is the InChIKey of 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine?
The InChIKey is CPYYVDFZHKVGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-19-15-5-4-13(12-14(15)17)6-9-16(10-11-18)7-2-3-8-16/h4-5,12H,2-3,6-11,18H2,1H3.
What are the key properties of 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine?
2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine is sourced from PubChem (CID 65305595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).