1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol

C9H14ClNO2 — CID 130151724

IUPAC1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)C(N)c1ccc(Cl)o1
InChIInChI=1S/C9H14ClNO2/c1-5(2)9(12)8(11)6-3-4-7(10)13-6/h3-5,8-9,12H,11H2,1-2H3
InChIKeyBZXSBKSCNLESOC-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.95
Rot. Bonds3

About 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol

1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol (PubChem CID 130151724) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol
PubChem CID130151724
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)C(N)c1ccc(Cl)o1
InChIInChI=1S/C9H14ClNO2/c1-5(2)9(12)8(11)6-3-4-7(10)13-6/h3-5,8-9,12H,11H2,1-2H3
InChIKeyBZXSBKSCNLESOC-UHFFFAOYSA-N
XLogP1.95
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-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

Related Compounds

1-(5-chlorofuran-2-yl)propane-1,2-diamine
CID 131059514
1-amino-1-(5-chlorofuran-2-yl)butan-2-ol
CID 130143451
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
2-amino-2-(5-chlorofuran-2-yl)ethanol
CID 55295388
(1R)-2-amino-1-(5-chlorofuran-2-yl)ethanol
CID 96633937
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
1-(5-chlorofuran-2-yl)-3-methylbut-2-en-1-amine
CID 106692484
methyl 2-amino-2-(5-chlorofuran-2-yl)acetate
CID 130062270
1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol
CID 106693662
1-(5-chlorofuran-2-yl)-3-methylbut-3-en-1-amine
CID 106692476
(5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106688821

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol (CID 130151724) is 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol is CC(C)C(O)C(N)c1ccc(Cl)o1.
What is the InChIKey of 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol?
The InChIKey is BZXSBKSCNLESOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-5(2)9(12)8(11)6-3-4-7(10)13-6/h3-5,8-9,12H,11H2,1-2H3.
What are the key properties of 1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol?
1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol has a molecular weight of 203.67 g/mol, XLogP of 1.95, 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)-3-methylbutan-2-ol is sourced from PubChem (CID 130151724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).