4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol

C15H23NO2 — CID 113376192

IUPAC4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
SMILESCC(O)CC(C)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO2/c1-11(9-12(2)17)16-7-5-13-3-4-15-14(10-13)6-8-18-15/h3-4,10-12,16-17H,5-9H2,1-2H3
InChIKeyOTXZSVNANCRCDU-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.91
Rot. Bonds6

About 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol

4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol (PubChem CID 113376192) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
PubChem CID113376192
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
SMILESCC(O)CC(C)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO2/c1-11(9-12(2)17)16-7-5-13-3-4-15-14(10-13)6-8-18-15/h3-4,10-12,16-17H,5-9H2,1-2H3
InChIKeyOTXZSVNANCRCDU-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propan-2-amine
CID 107859705
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4-methylpentanoic acid
CID 65444506
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65444828
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pent-1-yn-3-amine
CID 106229543
(1S)-1-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81375305
(2S)-2-[3-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-3-methylbutanoic acid
CID 122037040
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol
CID 65442461
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 65445582
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]butan-1-amine
CID 65446335
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol?
The IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol (CID 113376192) is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol is CC(O)CC(C)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol?
The InChIKey is OTXZSVNANCRCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(9-12(2)17)16-7-5-13-3-4-15-14(10-13)6-8-18-15/h3-4,10-12,16-17H,5-9H2,1-2H3.
What are the key properties of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol?
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 113376192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).