1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol

C17H23NO2 — CID 63631810

IUPAC1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol
SMILESCN(CC1CCCC1)CC(O)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-18(11-13-6-2-3-7-13)12-15(19)17-10-14-8-4-5-9-16(14)20-17/h4-5,8-10,13,15,19H,2-3,6-7,11-12H2,1H3
InChIKeyYLTIJAGZFJJDOC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.59
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol

1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol (PubChem CID 63631810) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol
PubChem CID63631810
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol
SMILESCN(CC1CCCC1)CC(O)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-18(11-13-6-2-3-7-13)12-15(19)17-10-14-8-4-5-9-16(14)20-17/h4-5,8-10,13,15,19H,2-3,6-7,11-12H2,1H3
InChIKeyYLTIJAGZFJJDOC-UHFFFAOYSA-N
XLogP3.59
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 54884595
1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 62862357
2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
CID 62861024
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol
CID 79559824
(2R)-2-(1-benzofuran-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]acetic acid
CID 97211083
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
1-(1-benzofuran-2-yl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685567
1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63896799
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol (CID 63631810) is 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol is CN(CC1CCCC1)CC(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol?
The InChIKey is YLTIJAGZFJJDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18(11-13-6-2-3-7-13)12-15(19)17-10-14-8-4-5-9-16(14)20-17/h4-5,8-10,13,15,19H,2-3,6-7,11-12H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol?
1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol has a molecular weight of 273.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol is sourced from PubChem (CID 63631810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).