3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol

C17H19Br2NO — CID 107981150

IUPAC3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cc(Br)cc(Br)c2)cc1C
InChIInChI=1S/C17H19Br2NO/c1-10-3-4-12(5-11(10)2)16(9-20)17(21)13-6-14(18)8-15(19)7-13/h3-8,16-17,21H,9,20H2,1-2H3
InChIKeyDIQWEMKCYWNLKW-UHFFFAOYSA-N
MW413.15 g/mol
LogP4.60
Rot. Bonds4

About 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol

3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 107981150) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
PubChem CID107981150
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cc(Br)cc(Br)c2)cc1C
InChIInChI=1S/C17H19Br2NO/c1-10-3-4-12(5-11(10)2)16(9-20)17(21)13-6-14(18)8-15(19)7-13/h3-8,16-17,21H,9,20H2,1-2H3
InChIKeyDIQWEMKCYWNLKW-UHFFFAOYSA-N
XLogP4.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.15
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679
3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65186689
1-amino-2-(3,4-dimethylphenyl)-4-ethylhexan-3-ol
CID 65188522
3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 107954971
3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 106690431
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107100522
1-amino-2-(3,4-dimethylphenyl)-4,4-dimethylhexan-3-ol
CID 65189920
3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188524
3-amino-1-(3-bromo-5-methylphenyl)propane-1,2-diol
CID 170829300

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol (CID 107981150) is 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)c2cc(Br)cc(Br)c2)cc1C.
What is the InChIKey of 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is DIQWEMKCYWNLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-10-3-4-12(5-11(10)2)16(9-20)17(21)13-6-14(18)8-15(19)7-13/h3-8,16-17,21H,9,20H2,1-2H3.
What are the key properties of 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol?
3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 413.15 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 107981150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).