5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol

C14H19NO3 — CID 103391600

IUPAC5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol
SMILESCOCC(O)(CCCN)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO3/c1-17-10-14(16,7-4-8-15)13-9-11-5-2-3-6-12(11)18-13/h2-3,5-6,9,16H,4,7-8,10,15H2,1H3
InChIKeyJSFAHNQQJITIDJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds6

About 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol

5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol (PubChem CID 103391600) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol.

Molecular Properties

Compound Name5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol
PubChem CID103391600
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol
SMILESCOCC(O)(CCCN)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO3/c1-17-10-14(16,7-4-8-15)13-9-11-5-2-3-6-12(11)18-13/h2-3,5-6,9,16H,4,7-8,10,15H2,1H3
InChIKeyJSFAHNQQJITIDJ-UHFFFAOYSA-N
XLogP2.01
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol
CID 114724321
1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 114724590
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63287232
4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 103392440
2-(3-methylpentan-3-yl)-1-benzofuran
CID 143330930
5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol
CID 103391542
(2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol
CID 12046892
5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391426
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
ethyl 3-(1-benzofuran-2-yl)-4-chloro-2-diazo-3-hydroxybutanoate
CID 101487903
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
1-methoxy-2-phenylheptan-2-ol
CID 103465294

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol?
The IUPAC name of 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol (CID 103391600) is 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol.
What is the SMILES notation for 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol?
The canonical SMILES for 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol is COCC(O)(CCCN)c1cc2ccccc2o1.
What is the InChIKey of 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol?
The InChIKey is JSFAHNQQJITIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-10-14(16,7-4-8-15)13-9-11-5-2-3-6-12(11)18-13/h2-3,5-6,9,16H,4,7-8,10,15H2,1H3.
What are the key properties of 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol?
5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol has a molecular weight of 249.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol is sourced from PubChem (CID 103391600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).