5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol

C11H14ClNO2 — CID 83893029

IUPAC5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(CN)c1cc2c(c(Cl)c1O)OCC2
InChIInChI=1S/C11H14ClNO2/c1-6(5-13)8-4-7-2-3-15-11(7)9(12)10(8)14/h4,6,14H,2-3,5,13H2,1H3
InChIKeyKUMQRYPWMVNESZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.04
Rot. Bonds2

About 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol

5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 83893029) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol
PubChem CID83893029
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(CN)c1cc2c(c(Cl)c1O)OCC2
InChIInChI=1S/C11H14ClNO2/c1-6(5-13)8-4-7-2-3-15-11(7)9(12)10(8)14/h4,6,14H,2-3,5,13H2,1H3
InChIKeyKUMQRYPWMVNESZ-UHFFFAOYSA-N
XLogP2.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83885873
7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83886439
3-(5-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butanal
CID 117394943
2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine
CID 83899193
5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117298493
2-(8-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117428007
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117356342
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83893031
5-(1-aminopropan-2-yl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464826
(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 130658252
5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
CID 83879252

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol (CID 83893029) is 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol is CC(CN)c1cc2c(c(Cl)c1O)OCC2.
What is the InChIKey of 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is KUMQRYPWMVNESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-6(5-13)8-4-7-2-3-15-11(7)9(12)10(8)14/h4,6,14H,2-3,5,13H2,1H3.
What are the key properties of 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol?
5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 227.69 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 83893029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).