3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol

C15H13BrF3NO — CID 107955043

IUPAC3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1F)C(O)c1cccc(Br)c1F
InChIInChI=1S/C15H13BrF3NO/c16-12-3-1-2-10(14(12)19)15(21)11(7-20)9-5-4-8(17)6-13(9)18/h1-6,11,15,21H,7,20H2
InChIKeyRSRPAGQQDOQHRC-UHFFFAOYSA-N
MW360.17 g/mol
LogP3.64
Rot. Bonds4

About 3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol

3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol (PubChem CID 107955043) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
PubChem CID107955043
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1F)C(O)c1cccc(Br)c1F
InChIInChI=1S/C15H13BrF3NO/c16-12-3-1-2-10(14(12)19)15(21)11(7-20)9-5-4-8(17)6-13(9)18/h1-6,11,15,21H,7,20H2
InChIKeyRSRPAGQQDOQHRC-UHFFFAOYSA-N
XLogP3.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol
CID 82792768
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190346
1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene
CID 107955921
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
CID 65189911
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-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol (CID 107955043) is 3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol is NCC(c1ccc(F)cc1F)C(O)c1cccc(Br)c1F.
What is the InChIKey of 3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
The InChIKey is RSRPAGQQDOQHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c16-12-3-1-2-10(14(12)19)15(21)11(7-20)9-5-4-8(17)6-13(9)18/h1-6,11,15,21H,7,20H2.
What are the key properties of 3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol has a molecular weight of 360.17 g/mol, XLogP of 3.64, 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-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 107955043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).