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

C13H21Cl3N2O — CID 154732256

IUPAC2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride
SMILESCCC(C)(C)NC(CO)c1cc(Cl)c(N)c(Cl)c1.Cl
InChIInChI=1S/C13H20Cl2N2O.ClH/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;1H
InChIKeyPGWULAASRKHBNV-UHFFFAOYSA-N
MW327.68 g/mol
LogP3.81
Rot. Bonds5

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

2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride (PubChem CID 154732256) has the molecular formula C13H21Cl3N2O and a molecular weight of 327.68 g/mol. Its IUPAC name is 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride
PubChem CID154732256
Molecular FormulaC13H21Cl3N2O
Molecular Weight327.68 g/mol
Exact Mass326.07
IUPAC Name2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride
SMILESCCC(C)(C)NC(CO)c1cc(Cl)c(N)c(Cl)c1.Cl
InChIInChI=1S/C13H20Cl2N2O.ClH/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;1H
InChIKeyPGWULAASRKHBNV-UHFFFAOYSA-N
XLogP3.81
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.68
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride (CID 154732256) is 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride is CCC(C)(C)NC(CO)c1cc(Cl)c(N)c(Cl)c1.Cl.
What is the InChIKey of 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride?
The InChIKey is PGWULAASRKHBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O.ClH/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;1H.
What are the key properties of 2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride?
2-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride has a molecular weight of 327.68 g/mol, XLogP of 3.81, 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;hydrochloride is sourced from PubChem (CID 154732256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).