3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol

C17H19Cl2NO — CID 65190424

IUPAC3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C17H19Cl2NO/c1-10-3-4-13(7-11(10)2)17(21)14(9-20)12-5-6-15(18)16(19)8-12/h3-8,14,17,21H,9,20H2,1-2H3
InChIKeyIOPAEIXPXLFUAL-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.39
Rot. Bonds4

About 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol

3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 65190424) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
PubChem CID65190424
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C17H19Cl2NO/c1-10-3-4-13(7-11(10)2)17(21)14(9-20)12-5-6-15(18)16(19)8-12/h3-8,14,17,21H,9,20H2,1-2H3
InChIKeyIOPAEIXPXLFUAL-UHFFFAOYSA-N
XLogP4.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65190263
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107100522
3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107981150
3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 106690431
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 81117504

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol (CID 65190424) is 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(O)C(CN)c2ccc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is IOPAEIXPXLFUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-10-3-4-13(7-11(10)2)17(21)14(9-20)12-5-6-15(18)16(19)8-12/h3-8,14,17,21H,9,20H2,1-2H3.
What are the key properties of 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol?
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 324.25 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 65190424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).