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

C15H13BrClF2NO — CID 82792768

IUPAC3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1F)C(O)c1ccc(F)cc1Br
InChIInChI=1S/C15H13BrClF2NO/c16-12-6-8(18)4-5-10(12)15(21)11(7-20)9-2-1-3-13(17)14(9)19/h1-6,11,15,21H,7,20H2
InChIKeyQCTXEWOEXDQHOE-UHFFFAOYSA-N
MW376.63 g/mol
LogP4.16
Rot. Bonds4

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

3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol (PubChem CID 82792768) has the molecular formula C15H13BrClF2NO and a molecular weight of 376.63 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol
PubChem CID82792768
Molecular FormulaC15H13BrClF2NO
Molecular Weight376.63 g/mol
Exact Mass374.98
IUPAC Name3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1F)C(O)c1ccc(F)cc1Br
InChIInChI=1S/C15H13BrClF2NO/c16-12-6-8(18)4-5-10(12)15(21)11(7-20)9-2-1-3-13(17)14(9)19/h1-6,11,15,21H,7,20H2
InChIKeyQCTXEWOEXDQHOE-UHFFFAOYSA-N
XLogP4.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
CID 115793021
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65189585
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
1-[bromo-(3-chloro-2-fluorophenyl)methyl]-2,4-difluorobenzene
CID 81262674
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
CID 107981145

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol (CID 82792768) is 3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol is NCC(c1cccc(Cl)c1F)C(O)c1ccc(F)cc1Br.
What is the InChIKey of 3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol?
The InChIKey is QCTXEWOEXDQHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2NO/c16-12-6-8(18)4-5-10(12)15(21)11(7-20)9-2-1-3-13(17)14(9)19/h1-6,11,15,21H,7,20H2.
What are the key properties of 3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol?
3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol has a molecular weight of 376.63 g/mol, XLogP of 4.16, 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-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 82792768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).