3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol

C15H13BrCl3NO — CID 65184419

IUPAC3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
SMILESNCC(c1c(Cl)cccc1Cl)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl3NO/c16-8-4-5-9(13(19)6-8)15(21)10(7-20)14-11(17)2-1-3-12(14)18/h1-6,10,15,21H,7,20H2
InChIKeyJHIMPWZJVRGHKA-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.19
Rot. Bonds4

About 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol

3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol (PubChem CID 65184419) has the molecular formula C15H13BrCl3NO and a molecular weight of 409.54 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
PubChem CID65184419
Molecular FormulaC15H13BrCl3NO
Molecular Weight409.54 g/mol
Exact Mass406.92
IUPAC Name3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
SMILESNCC(c1c(Cl)cccc1Cl)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl3NO/c16-8-4-5-9(13(19)6-8)15(21)10(7-20)14-11(17)2-1-3-12(14)18/h1-6,10,15,21H,7,20H2
InChIKeyJHIMPWZJVRGHKA-UHFFFAOYSA-N
XLogP5.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
CID 65186668
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
CID 65185943
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
CID 65186243
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol (CID 65184419) is 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol is NCC(c1c(Cl)cccc1Cl)C(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
The InChIKey is JHIMPWZJVRGHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl3NO/c16-8-4-5-9(13(19)6-8)15(21)10(7-20)14-11(17)2-1-3-12(14)18/h1-6,10,15,21H,7,20H2.
What are the key properties of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol has a molecular weight of 409.54 g/mol, XLogP of 5.19, 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-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 65184419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).