3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine

C14H17NO — CID 114733615

IUPAC3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1c1cc2ccccc2o1
InChIInChI=1S/C14H17NO/c1-9-11(6-7-12(9)15)14-8-10-4-2-3-5-13(10)16-14/h2-5,8-9,11-12H,6-7,15H2,1H3
InChIKeyJDLHTFMXMUANBG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine

3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine (PubChem CID 114733615) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
PubChem CID114733615
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1c1cc2ccccc2o1
InChIInChI=1S/C14H17NO/c1-9-11(6-7-12(9)15)14-8-10-4-2-3-5-13(10)16-14/h2-5,8-9,11-12H,6-7,15H2,1H3
InChIKeyJDLHTFMXMUANBG-UHFFFAOYSA-N
XLogP3.27
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzofuran-2-yl)-2-methylpyrrolidine
CID 63897339
2-cyclopropyl-1-benzofuran
CID 12528043
2-methyl-3-naphthalen-2-ylcyclopentan-1-amine
CID 64909840
2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
CID 118967498
3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
2-(dioxetan-3-yl)-1-benzofuran
CID 139777260
2-methyl-3-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114733767
(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
CID 70240753
2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine
CID 70570893
N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 114735873
N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine (CID 114733615) is 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine is CC1C(N)CCC1c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine?
The InChIKey is JDLHTFMXMUANBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-11(6-7-12(9)15)14-8-10-4-2-3-5-13(10)16-14/h2-5,8-9,11-12H,6-7,15H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine?
3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 114733615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).