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

C13H19NO2 — CID 79229669

IUPAC1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)CC1COc2ccccc21
InChIInChI=1S/C13H19NO2/c1-10(15)7-14(2)8-11-9-16-13-6-4-3-5-12(11)13/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyHSTZWOMGHZZHNL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds4

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

1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol (PubChem CID 79229669) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol
PubChem CID79229669
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)CC1COc2ccccc21
InChIInChI=1S/C13H19NO2/c1-10(15)7-14(2)8-11-9-16-13-6-4-3-5-12(11)13/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyHSTZWOMGHZZHNL-UHFFFAOYSA-N
XLogP1.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylpropan-1-amine
CID 79229839
1-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 79230396
2-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476276
3-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propanenitrile
CID 79226206
3-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 79229464
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine
CID 104771323
3-[2,3-dihydro-1-benzofuran-3-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 79229408
2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine
CID 114242583
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 79229248
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 79229653
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol (CID 79229669) is 1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol is CC(O)CN(C)CC1COc2ccccc21.
What is the InChIKey of 1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol?
The InChIKey is HSTZWOMGHZZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(15)7-14(2)8-11-9-16-13-6-4-3-5-12(11)13/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of 1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol?
1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 79229669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).