3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol

C16H23NO2 — CID 103786549

IUPAC3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
SMILESCC(NC(CCO)C(C)C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO2/c1-11(2)14(8-9-18)17-12(3)16-10-13-6-4-5-7-15(13)19-16/h4-7,10-12,14,17-18H,8-9H2,1-3H3
InChIKeyDGTUKDRPPJTBLM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.49
Rot. Bonds6

About 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol

3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol (PubChem CID 103786549) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
PubChem CID103786549
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
SMILESCC(NC(CCO)C(C)C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO2/c1-11(2)14(8-9-18)17-12(3)16-10-13-6-4-5-7-15(13)19-16/h4-7,10-12,14,17-18H,8-9H2,1-3H3
InChIKeyDGTUKDRPPJTBLM-UHFFFAOYSA-N
XLogP3.49
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
CID 115725359
4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol
CID 103786449
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
CID 63944731
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol (CID 103786549) is 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol is CC(NC(CCO)C(C)C)c1cc2ccccc2o1.
What is the InChIKey of 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol?
The InChIKey is DGTUKDRPPJTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)14(8-9-18)17-12(3)16-10-13-6-4-5-7-15(13)19-16/h4-7,10-12,14,17-18H,8-9H2,1-3H3.
What are the key properties of 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol?
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 103786549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).