3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol

C15H13Br2F2NO — CID 107981149

IUPAC3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1F)C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2F2NO/c16-9-3-8(4-10(17)5-9)15(21)13(7-20)12-2-1-11(18)6-14(12)19/h1-6,13,15,21H,7,20H2
InChIKeyBKHKTBZHTVEIHZ-UHFFFAOYSA-N
MW421.08 g/mol
LogP4.27
Rot. Bonds4

About 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol

3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol (PubChem CID 107981149) has the molecular formula C15H13Br2F2NO and a molecular weight of 421.08 g/mol. Its IUPAC name is 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
PubChem CID107981149
Molecular FormulaC15H13Br2F2NO
Molecular Weight421.08 g/mol
Exact Mass418.93
IUPAC Name3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1F)C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2F2NO/c16-9-3-8(4-10(17)5-9)15(21)13(7-20)12-2-1-11(18)6-14(12)19/h1-6,13,15,21H,7,20H2
InChIKeyBKHKTBZHTVEIHZ-UHFFFAOYSA-N
XLogP4.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.08
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
CID 107981145
3-amino-1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65189681
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 82876956
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 65189770
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-1-(3-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525918
1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
CID 65189911
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 107954971

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol (CID 107981149) is 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol is NCC(c1ccc(F)cc1F)C(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
The InChIKey is BKHKTBZHTVEIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2NO/c16-9-3-8(4-10(17)5-9)15(21)13(7-20)12-2-1-11(18)6-14(12)19/h1-6,13,15,21H,7,20H2.
What are the key properties of 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol has a molecular weight of 421.08 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 107981149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).