[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine

C14H16FNO — CID 117338306

IUPAC[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine
SMILESNCC1(c2cc(F)cc3ccoc23)CCCC1
InChIInChI=1S/C14H16FNO/c15-11-7-10-3-6-17-13(10)12(8-11)14(9-16)4-1-2-5-14/h3,6-8H,1-2,4-5,9,16H2
InChIKeySEQHMAPZLWOPJF-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.34
Rot. Bonds2

About [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine

[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine (PubChem CID 117338306) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine
PubChem CID117338306
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine
SMILESNCC1(c2cc(F)cc3ccoc23)CCCC1
InChIInChI=1S/C14H16FNO/c15-11-7-10-3-6-17-13(10)12(8-11)14(9-16)4-1-2-5-14/h3,6-8H,1-2,4-5,9,16H2
InChIKeySEQHMAPZLWOPJF-UHFFFAOYSA-N
XLogP3.34
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
5-fluoro-7-(1-isocyanatocyclopentyl)-1-benzofuran
CID 117364547
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495654
[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
CID 117403554
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde
CID 117316027
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
[1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117312317
2-(5-fluoro-1-benzofuran-7-yl)ethanamine
CID 22144824
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine (CID 117338306) is [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine is NCC1(c2cc(F)cc3ccoc23)CCCC1.
What is the InChIKey of [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine?
The InChIKey is SEQHMAPZLWOPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-11-7-10-3-6-17-13(10)12(8-11)14(9-16)4-1-2-5-14/h3,6-8H,1-2,4-5,9,16H2.
What are the key properties of [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine?
[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine has a molecular weight of 233.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117338306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).