4-amino-3-(1-benzofuran-2-yl)hexan-1-ol

C14H19NO2 — CID 66090326

IUPAC4-amino-3-(1-benzofuran-2-yl)hexan-1-ol
SMILESCCC(N)C(CCO)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-2-12(15)11(7-8-16)14-9-10-5-3-4-6-13(10)17-14/h3-6,9,11-12,16H,2,7-8,15H2,1H3
InChIKeyQJMNSEIHKDIUMR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.64
Rot. Bonds5

About 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol

4-amino-3-(1-benzofuran-2-yl)hexan-1-ol (PubChem CID 66090326) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol.

Molecular Properties

Compound Name4-amino-3-(1-benzofuran-2-yl)hexan-1-ol
PubChem CID66090326
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-amino-3-(1-benzofuran-2-yl)hexan-1-ol
SMILESCCC(N)C(CCO)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-2-12(15)11(7-8-16)14-9-10-5-3-4-6-13(10)17-14/h3-6,9,11-12,16H,2,7-8,15H2,1H3
InChIKeyQJMNSEIHKDIUMR-UHFFFAOYSA-N
XLogP2.64
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-3-(5-methylfuran-2-yl)hexan-1-ol
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(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951
1-(1-benzofuran-2-yl)hex-4-yn-1-amine
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1-(1-benzofuran-2-yl)-2-propoxyethanamine
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CID 63089894

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol?
The IUPAC name of 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol (CID 66090326) is 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol.
What is the SMILES notation for 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol?
The canonical SMILES for 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol is CCC(N)C(CCO)c1cc2ccccc2o1.
What is the InChIKey of 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol?
The InChIKey is QJMNSEIHKDIUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-12(15)11(7-8-16)14-9-10-5-3-4-6-13(10)17-14/h3-6,9,11-12,16H,2,7-8,15H2,1H3.
What are the key properties of 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol?
4-amino-3-(1-benzofuran-2-yl)hexan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-benzofuran-2-yl)hexan-1-ol is sourced from PubChem (CID 66090326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).