3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol

C13H19NO2 — CID 115216972

IUPAC3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCCO)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO2/c1-14(6-2-7-15)10-11-3-4-13-12(9-11)5-8-16-13/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyQEJUZDCVLWUMNE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.44
Rot. Bonds5

About 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol

3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol (PubChem CID 115216972) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
PubChem CID115216972
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCCO)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO2/c1-14(6-2-7-15)10-11-3-4-13-12(9-11)5-8-16-13/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyQEJUZDCVLWUMNE-UHFFFAOYSA-N
XLogP1.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250940
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204974
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]propane-1-thiol
CID 115225274
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol (CID 115216972) is 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol is CN(CCCO)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol?
The InChIKey is QEJUZDCVLWUMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14(6-2-7-15)10-11-3-4-13-12(9-11)5-8-16-13/h3-4,9,15H,2,5-8,10H2,1H3.
What are the key properties of 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol?
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 115216972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).