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

C15H14BrCl2NO — CID 65188028

IUPAC3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14BrCl2NO/c16-10-4-1-3-9(7-10)11(8-19)15(20)14-12(17)5-2-6-13(14)18/h1-7,11,15,20H,8,19H2
InChIKeySLIZKIPCLBIMAZ-UHFFFAOYSA-N
MW375.09 g/mol
LogP4.53
Rot. Bonds4

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

3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol (PubChem CID 65188028) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
PubChem CID65188028
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14BrCl2NO/c16-10-4-1-3-9(7-10)11(8-19)15(20)14-12(17)5-2-6-13(14)18/h1-7,11,15,20H,8,19H2
InChIKeySLIZKIPCLBIMAZ-UHFFFAOYSA-N
XLogP4.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.09
LogP ≤ 54.53
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-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol
CID 65187605
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419
3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol
CID 103406638
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65187659

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol (CID 65188028) is 3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol is NCC(c1cccc(Br)c1)C(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol?
The InChIKey is SLIZKIPCLBIMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c16-10-4-1-3-9(7-10)11(8-19)15(20)14-12(17)5-2-6-13(14)18/h1-7,11,15,20H,8,19H2.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol has a molecular weight of 375.09 g/mol, XLogP of 4.53, 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-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 65188028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).