1-amino-1-(5-chlorofuran-2-yl)butan-2-ol

C8H12ClNO2 — CID 130143451

IUPAC1-amino-1-(5-chlorofuran-2-yl)butan-2-ol
SMILESCCC(O)C(N)c1ccc(Cl)o1
InChIInChI=1S/C8H12ClNO2/c1-2-5(11)8(10)6-3-4-7(9)12-6/h3-5,8,11H,2,10H2,1H3
InChIKeyITEVDAJZOSBSFE-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.70
Rot. Bonds3

About 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol

1-amino-1-(5-chlorofuran-2-yl)butan-2-ol (PubChem CID 130143451) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-1-(5-chlorofuran-2-yl)butan-2-ol
PubChem CID130143451
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name1-amino-1-(5-chlorofuran-2-yl)butan-2-ol
SMILESCCC(O)C(N)c1ccc(Cl)o1
InChIInChI=1S/C8H12ClNO2/c1-2-5(11)8(10)6-3-4-7(9)12-6/h3-5,8,11H,2,10H2,1H3
InChIKeyITEVDAJZOSBSFE-UHFFFAOYSA-N
XLogP1.70
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol?
The IUPAC name of 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol (CID 130143451) is 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol.
What is the SMILES notation for 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol?
The canonical SMILES for 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol is CCC(O)C(N)c1ccc(Cl)o1.
What is the InChIKey of 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol?
The InChIKey is ITEVDAJZOSBSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-2-5(11)8(10)6-3-4-7(9)12-6/h3-5,8,11H,2,10H2,1H3.
What are the key properties of 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol?
1-amino-1-(5-chlorofuran-2-yl)butan-2-ol has a molecular weight of 189.64 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(5-chlorofuran-2-yl)butan-2-ol is sourced from PubChem (CID 130143451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).