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

C15H14Br2FNO — CID 114376051

IUPAC3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H14Br2FNO/c16-9-5-6-13(17)11(7-9)15(20)12(8-19)10-3-1-2-4-14(10)18/h1-7,12,15,20H,8,19H2
InChIKeyTVVOAHNYOQYEGX-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.13
Rot. Bonds4

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

3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 114376051) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID114376051
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H14Br2FNO/c16-9-5-6-13(17)11(7-9)15(20)12(8-19)10-3-1-2-4-14(10)18/h1-7,12,15,20H,8,19H2
InChIKeyTVVOAHNYOQYEGX-UHFFFAOYSA-N
XLogP4.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
CID 65309758
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 82772706
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
CID 65186386
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185462
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
CID 65186668

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol (CID 114376051) is 3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol is NCC(c1ccccc1F)C(O)c1cc(Br)ccc1Br.
What is the InChIKey of 3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is TVVOAHNYOQYEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c16-9-5-6-13(17)11(7-9)15(20)12(8-19)10-3-1-2-4-14(10)18/h1-7,12,15,20H,8,19H2.
What are the key properties of 3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol?
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 403.09 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 114376051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).