2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride

C12H19Cl3N2O — CID 70521260

IUPAC2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride
SMILESCC(C)(C)C(N)C(O)c1cc(Cl)c(N)c(Cl)c1.Cl
InChIInChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)11(16)10(17)6-4-7(13)9(15)8(14)5-6;/h4-5,10-11,17H,15-16H2,1-3H3;1H
InChIKeyLOOKPHGGKMXQCV-UHFFFAOYSA-N
MW313.66 g/mol
LogP3.40
Rot. Bonds2

About 2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride

2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride (PubChem CID 70521260) has the molecular formula C12H19Cl3N2O and a molecular weight of 313.66 g/mol. Its IUPAC name is 2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride
PubChem CID70521260
Molecular FormulaC12H19Cl3N2O
Molecular Weight313.66 g/mol
Exact Mass312.06
IUPAC Name2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride
SMILESCC(C)(C)C(N)C(O)c1cc(Cl)c(N)c(Cl)c1.Cl
InChIInChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)11(16)10(17)6-4-7(13)9(15)8(14)5-6;/h4-5,10-11,17H,15-16H2,1-3H3;1H
InChIKeyLOOKPHGGKMXQCV-UHFFFAOYSA-N
XLogP3.40
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.66
LogP ≤ 53.40
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-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride?
The IUPAC name of 2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride (CID 70521260) is 2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride is CC(C)(C)C(N)C(O)c1cc(Cl)c(N)c(Cl)c1.Cl.
What is the InChIKey of 2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride?
The InChIKey is LOOKPHGGKMXQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)11(16)10(17)6-4-7(13)9(15)8(14)5-6;/h4-5,10-11,17H,15-16H2,1-3H3;1H.
What are the key properties of 2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride?
2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride has a molecular weight of 313.66 g/mol, XLogP of 3.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride is sourced from PubChem (CID 70521260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).