1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine

C18H25NO — CID 105044052

IUPAC1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C18H25NO/c1-2-19-16(12-11-14-7-3-4-8-14)18-13-15-9-5-6-10-17(15)20-18/h5-6,9-10,13-14,16,19H,2-4,7-8,11-12H2,1H3
InChIKeyNJCSCUXLECRTLX-UHFFFAOYSA-N
MW271.40 g/mol
LogP5.05
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine

1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine (PubChem CID 105044052) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
PubChem CID105044052
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C18H25NO/c1-2-19-16(12-11-14-7-3-4-8-14)18-13-15-9-5-6-10-17(15)20-18/h5-6,9-10,13-14,16,19H,2-4,7-8,11-12H2,1H3
InChIKeyNJCSCUXLECRTLX-UHFFFAOYSA-N
XLogP5.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105043949
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
3-cyclohexyl-N-ethyl-1-(5-ethylfuran-2-yl)propan-1-amine
CID 63505703
N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863656
[1-(1-benzofuran-2-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105337722
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 115796908

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine (CID 105044052) is 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine is CCNC(CCC1CCCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine?
The InChIKey is NJCSCUXLECRTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-19-16(12-11-14-7-3-4-8-14)18-13-15-9-5-6-10-17(15)20-18/h5-6,9-10,13-14,16,19H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine?
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine is sourced from PubChem (CID 105044052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).