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

C12H19Cl3N2O — CID 67681059

IUPAC1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride
SMILESCC(C)(C)CC(N)(O)c1cc(Cl)c(N)c(Cl)c1.Cl
InChIInChI=1S/C12H18Cl2N2O.ClH/c1-11(2,3)6-12(16,17)7-4-8(13)10(15)9(14)5-7;/h4-5,17H,6,15-16H2,1-3H3;1H
InChIKeyXIZQFJMZGMDCRZ-UHFFFAOYSA-N
MW313.66 g/mol
LogP3.54
Rot. Bonds2

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

1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride (PubChem CID 67681059) has the molecular formula C12H19Cl3N2O and a molecular weight of 313.66 g/mol. Its IUPAC name is 1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride
PubChem CID67681059
Molecular FormulaC12H19Cl3N2O
Molecular Weight313.66 g/mol
Exact Mass312.06
IUPAC Name1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride
SMILESCC(C)(C)CC(N)(O)c1cc(Cl)c(N)c(Cl)c1.Cl
InChIInChI=1S/C12H18Cl2N2O.ClH/c1-11(2,3)6-12(16,17)7-4-8(13)10(15)9(14)5-7;/h4-5,17H,6,15-16H2,1-3H3;1H
InChIKeyXIZQFJMZGMDCRZ-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Clenbuterol
CID 2783
Clenbuterol Hydrochloride
CID 5702273
Clenproperol
CID 217246
Clenpenterol
CID 170033
(R)-Clenbuterol
CID 688427
1-(4-Amino-3,5-dichlorophenyl)-2-[(tert-butyl)amino]ethan-1-ol, chloride
CID 30849
Clenisopenterol
CID 71312596
Benzenemethanol, 4-amino-3,5-dichloro-alpha-((dimethylamino)methyl)-
CID 217233
1-(4-Amino-3,5-dichlorophenyl)-2-(diethylamino)ethan-1-ol
CID 217235
Benzenemethanol, 4-amino-alpha-(aminomethyl)-3,5-dichloro-
CID 217242
1-(4-Amino-3,5-dichlorophenyl)-2-(methylamino)ethan-1-ol
CID 217243
1-(4-Amino-3,5-dichlorophenyl)-2-(ethylamino)ethan-1-ol
CID 217244

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride?
The IUPAC name of 1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride (CID 67681059) is 1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride.
What is the SMILES notation for 1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride?
The canonical SMILES for 1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride is CC(C)(C)CC(N)(O)c1cc(Cl)c(N)c(Cl)c1.Cl.
What is the InChIKey of 1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride?
The InChIKey is XIZQFJMZGMDCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O.ClH/c1-11(2,3)6-12(16,17)7-4-8(13)10(15)9(14)5-7;/h4-5,17H,6,15-16H2,1-3H3;1H.
What are the key properties of 1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride?
1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride has a molecular weight of 313.66 g/mol, XLogP of 3.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-amino-3,5-dichlorophenyl)-3,3-dimethylbutan-1-ol;hydrochloride is sourced from PubChem (CID 67681059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).