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

C15H14BrF2NO — CID 65188287

IUPAC3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1c(F)cccc1F
InChIInChI=1S/C15H14BrF2NO/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
InChIKeyJLSZXHQELLMCDX-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.50
Rot. Bonds4

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

3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol (PubChem CID 65188287) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
PubChem CID65188287
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1c(F)cccc1F
InChIInChI=1S/C15H14BrF2NO/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
InChIKeyJLSZXHQELLMCDX-UHFFFAOYSA-N
XLogP3.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 114561223
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
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
3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
CID 65186386

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol (CID 65188287) is 3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol is NCC(c1cccc(Br)c1)C(O)c1c(F)cccc1F.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol?
The InChIKey is JLSZXHQELLMCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/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-difluorophenyl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol has a molecular weight of 342.18 g/mol, XLogP of 3.50, 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-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65188287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).