3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol

C15H23NO2 — CID 62060184

IUPAC3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO2/c1-3-15(17,4-2)11-16-10-12-5-6-14-13(9-12)7-8-18-14/h5-6,9,16-17H,3-4,7-8,10-11H2,1-2H3
InChIKeyOBTBRESXLLGDMA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.26
Rot. Bonds6

About 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol

3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol (PubChem CID 62060184) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol
PubChem CID62060184
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO2/c1-3-15(17,4-2)11-16-10-12-5-6-14-13(9-12)7-8-18-14/h5-6,9,16-17H,3-4,7-8,10-11H2,1-2H3
InChIKeyOBTBRESXLLGDMA-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]pentan-3-ol
CID 65446932
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-methylpropane-1,2-diol
CID 66169664
1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66179768
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 113245808
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102609948
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)butan-2-one
CID 115235717
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol (CID 62060184) is 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCc1ccc2c(c1)CCO2.
What is the InChIKey of 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol?
The InChIKey is OBTBRESXLLGDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(17,4-2)11-16-10-12-5-6-14-13(9-12)7-8-18-14/h5-6,9,16-17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol?
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol has a molecular weight of 249.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 62060184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).