2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine

C14H16ClNO — CID 114732915

IUPAC2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H16ClNO/c1-16-12-4-2-3-11(12)14-8-9-7-10(15)5-6-13(9)17-14/h5-8,11-12,16H,2-4H2,1H3
InChIKeySFASHMFZZGBOIT-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.94
Rot. Bonds2

About 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine

2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine (PubChem CID 114732915) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine
PubChem CID114732915
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H16ClNO/c1-16-12-4-2-3-11(12)14-8-9-7-10(15)5-6-13(9)17-14/h5-8,11-12,16H,2-4H2,1H3
InChIKeySFASHMFZZGBOIT-UHFFFAOYSA-N
XLogP3.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732936
2-(2-bromocyclopentyl)-5-chloro-1-benzofuran
CID 114732824
N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732940
N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine
CID 114735733
2-(furan-2-yl)-N-methylcyclopentan-1-amine
CID 63950398
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114729092
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
CID 114732944
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 114730301
N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine
CID 62965835
5-chloro-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1-benzofuran-2-carboxamide
CID 155990029
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 107918248

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine (CID 114732915) is 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine is CNC1CCCC1c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine?
The InChIKey is SFASHMFZZGBOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-16-12-4-2-3-11(12)14-8-9-7-10(15)5-6-13(9)17-14/h5-8,11-12,16H,2-4H2,1H3.
What are the key properties of 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine?
2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 114732915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).