1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine

C17H23NO — CID 107417019

IUPAC1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
SMILESCC(NCC1CCCC1C)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO/c1-12-6-5-8-15(12)11-18-13(2)17-10-14-7-3-4-9-16(14)19-17/h3-4,7,9-10,12-13,15,18H,5-6,8,11H2,1-2H3
InChIKeyGUJUNWAWKKBSAM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.52
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107417019) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107417019
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
SMILESCC(NCC1CCCC1C)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO/c1-12-6-5-8-15(12)11-18-13(2)17-10-14-7-3-4-9-16(14)19-17/h3-4,7,9-10,12-13,15,18H,5-6,8,11H2,1-2H3
InChIKeyGUJUNWAWKKBSAM-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906398
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide
CID 112811102
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine (CID 107417019) is 1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine is CC(NCC1CCCC1C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is GUJUNWAWKKBSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-6-5-8-15(12)11-18-13(2)17-10-14-7-3-4-9-16(14)19-17/h3-4,7,9-10,12-13,15,18H,5-6,8,11H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.52, 4 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)-N-[(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107417019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).