2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol

C13H20Cl2N2O — CID 154732238

IUPAC2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol
SMILESCCC(C)(C)NC(CO)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O/c1-4-13(2,3)17-11(7-18)8-5-9(14)12(16)10(15)6-8/h5-6,11,17-18H,4,7,16H2,1-3H3
InChIKeyARSKROCCQDSZNG-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol

2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol (PubChem CID 154732238) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol
PubChem CID154732238
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol
SMILESCCC(C)(C)NC(CO)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O/c1-4-13(2,3)17-11(7-18)8-5-9(14)12(16)10(15)6-8/h5-6,11,17-18H,4,7,16H2,1-3H3
InChIKeyARSKROCCQDSZNG-UHFFFAOYSA-N
XLogP3.39
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol 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 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol?
The IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol (CID 154732238) is 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol.
What is the SMILES notation for 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol?
The canonical SMILES for 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol is CCC(C)(C)NC(CO)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol?
The InChIKey is ARSKROCCQDSZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c1-4-13(2,3)17-11(7-18)8-5-9(14)12(16)10(15)6-8/h5-6,11,17-18H,4,7,16H2,1-3H3.
What are the key properties of 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol?
2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol has a molecular weight of 291.22 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol is sourced from PubChem (CID 154732238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).