1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol

C13H19NO2 — CID 61004261

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
SMILESCCC(O)CNCC1Cc2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-2-11(15)8-14-9-12-7-10-5-3-4-6-13(10)16-12/h3-6,11-12,14-15H,2,7-9H2,1H3
InChIKeyWPFACQMHFMYIFT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.35
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol

1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol (PubChem CID 61004261) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
PubChem CID61004261
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
SMILESCCC(O)CNCC1Cc2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-2-11(15)8-14-9-12-7-10-5-3-4-6-13(10)16-12/h3-6,11-12,14-15H,2,7-9H2,1H3
InChIKeyWPFACQMHFMYIFT-UHFFFAOYSA-N
XLogP1.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine
CID 106286562
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
N-butan-2-yl-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)acetamide
CID 54897709
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77030360
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
CID 54896080

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol (CID 61004261) is 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol is CCC(O)CNCC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol?
The InChIKey is WPFACQMHFMYIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-11(15)8-14-9-12-7-10-5-3-4-6-13(10)16-12/h3-6,11-12,14-15H,2,7-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol?
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 61004261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).