2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol

C15H19NO2 — CID 63295328

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
SMILESCC(NCC(O)C1CC1)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-10(16-9-13(17)11-6-7-11)15-8-12-4-2-3-5-14(12)18-15/h2-5,8,10-11,13,16-17H,6-7,9H2,1H3
InChIKeyHSHMBGBCWFIOPG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol

2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol (PubChem CID 63295328) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
PubChem CID63295328
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
SMILESCC(NCC(O)C1CC1)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-10(16-9-13(17)11-6-7-11)15-8-12-4-2-3-5-14(12)18-15/h2-5,8,10-11,13,16-17H,6-7,9H2,1H3
InChIKeyHSHMBGBCWFIOPG-UHFFFAOYSA-N
XLogP2.85
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313
1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906398
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol (CID 63295328) is 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol is CC(NCC(O)C1CC1)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol?
The InChIKey is HSHMBGBCWFIOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(16-9-13(17)11-6-7-11)15-8-12-4-2-3-5-14(12)18-15/h2-5,8,10-11,13,16-17H,6-7,9H2,1H3.
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol?
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol has a molecular weight of 245.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol is sourced from PubChem (CID 63295328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).