3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol

C14H21NO2 — CID 65234969

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO2/c1-2-7-15-13(5-8-16)11-3-4-14-12(10-11)6-9-17-14/h3-4,10,13,15-16H,2,5-9H2,1H3
InChIKeyPFRREUZZEZTBBQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.04
Rot. Bonds6

About 3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol

3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol (PubChem CID 65234969) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
PubChem CID65234969
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO2/c1-2-7-15-13(5-8-16)11-3-4-14-12(10-11)6-9-17-14/h3-4,10,13,15-16H,2,5-9H2,1H3
InChIKeyPFRREUZZEZTBBQ-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037301
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62199949
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol
CID 55084367
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol (CID 65234969) is 3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol is CCCNC(CCO)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol?
The InChIKey is PFRREUZZEZTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-7-15-13(5-8-16)11-3-4-14-12(10-11)6-9-17-14/h3-4,10,13,15-16H,2,5-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol?
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.04, 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-yl)-3-(propylamino)propan-1-ol is sourced from PubChem (CID 65234969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).