(3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol

C11H15Cl2NO — CID 71159154

IUPAC(3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol
SMILESC[C@@](CN)(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-11(7-14,4-5-15)8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7,14H2,1H3/t11-/m0/s1
InChIKeyDUZAWGHXODDFEZ-NSHDSACASA-N
MW248.15 g/mol
LogP2.59
Rot. Bonds4

About (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol

(3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol (PubChem CID 71159154) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol
PubChem CID71159154
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name(3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol
SMILESC[C@@](CN)(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-11(7-14,4-5-15)8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7,14H2,1H3/t11-/m0/s1
InChIKeyDUZAWGHXODDFEZ-NSHDSACASA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-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 (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol (CID 71159154) is (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol is C[C@@](CN)(CCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
The InChIKey is DUZAWGHXODDFEZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-11(7-14,4-5-15)8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7,14H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
(3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol has a molecular weight of 248.15 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 71159154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).