3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol

C17H19Cl2NO — CID 65184470

IUPAC3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C)c(C(O)C(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-10-6-7-11(2)12(8-10)17(21)13(9-20)16-14(18)4-3-5-15(16)19/h3-8,13,17,21H,9,20H2,1-2H3
InChIKeyWTZQYSVYTSYNRG-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.39
Rot. Bonds4

About 3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol

3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol (PubChem CID 65184470) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
PubChem CID65184470
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C)c(C(O)C(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-10-6-7-11(2)12(8-10)17(21)13(9-20)16-14(18)4-3-5-15(16)19/h3-8,13,17,21H,9,20H2,1-2H3
InChIKeyWTZQYSVYTSYNRG-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-2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)propan-1-ol
CID 65185998
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545
3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
CID 65184520
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 81316223
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419
3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 107100511
3-amino-1-(2,3-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187784
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol (CID 65184470) is 3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol is Cc1ccc(C)c(C(O)C(CN)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol?
The InChIKey is WTZQYSVYTSYNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-10-6-7-11(2)12(8-10)17(21)13(9-20)16-14(18)4-3-5-15(16)19/h3-8,13,17,21H,9,20H2,1-2H3.
What are the key properties of 3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol?
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-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-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 65184470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).