3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol

C16H17BrClNO — CID 81308542

IUPAC3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C16H17BrClNO/c1-10-2-4-11(5-3-10)13(9-19)16(20)12-6-7-14(17)15(18)8-12/h2-8,13,16,20H,9,19H2,1H3
InChIKeyOXOTXDYPGMWOLU-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.19
Rot. Bonds4

About 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol

3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 81308542) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID81308542
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C16H17BrClNO/c1-10-2-4-11(5-3-10)13(9-19)16(20)12-6-7-14(17)15(18)8-12/h2-8,13,16,20H,9,19H2,1H3
InChIKeyOXOTXDYPGMWOLU-UHFFFAOYSA-N
XLogP4.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-bromo-3-chlorophenyl)-2-phenylpropan-1-ol
CID 81307524
3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol
CID 81308238
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 81117504
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
1-(4-bromo-3-chlorophenyl)-3-chloropropane-1,2-diol
CID 171863117
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-1-(2,3-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187784
3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 107100511
3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 65187627
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol (CID 81308542) is 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)c2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is OXOTXDYPGMWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-2-4-11(5-3-10)13(9-19)16(20)12-6-7-14(17)15(18)8-12/h2-8,13,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol?
3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 354.68 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 81308542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).