1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol

C17H25NO2 — CID 103783098

IUPAC1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H25NO2/c1-4-13(5-2)15(19)11-18-12(3)17-10-14-8-6-7-9-16(14)20-17/h6-10,12-13,15,18-19H,4-5,11H2,1-3H3
InChIKeyQMNFYALZOXXBCI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.88
Rot. Bonds7

About 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol

1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol (PubChem CID 103783098) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
PubChem CID103783098
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H25NO2/c1-4-13(5-2)15(19)11-18-12(3)17-10-14-8-6-7-9-16(14)20-17/h6-10,12-13,15,18-19H,4-5,11H2,1-3H3
InChIKeyQMNFYALZOXXBCI-UHFFFAOYSA-N
XLogP3.88
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
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]hexan-1-amine
CID 43080080
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-ethoxyethyl)ethanamine
CID 43403744
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337854
2-butan-2-yl-1-benzofuran
CID 12065919

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol (CID 103783098) is 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol?
The InChIKey is QMNFYALZOXXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-13(5-2)15(19)11-18-12(3)17-10-14-8-6-7-9-16(14)20-17/h6-10,12-13,15,18-19H,4-5,11H2,1-3H3.
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol?
1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 103783098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).