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

C15H13Br2ClFNO — CID 107981145

IUPAC3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2ClFNO/c16-9-3-8(4-10(17)5-9)15(21)13(7-20)12-2-1-11(19)6-14(12)18/h1-6,13,15,21H,7,20H2
InChIKeyPKHLBJFXIQWNMY-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.78
Rot. Bonds4

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

3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol (PubChem CID 107981145) has the molecular formula C15H13Br2ClFNO and a molecular weight of 437.53 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
PubChem CID107981145
Molecular FormulaC15H13Br2ClFNO
Molecular Weight437.53 g/mol
Exact Mass434.90
IUPAC Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2ClFNO/c16-9-3-8(4-10(17)5-9)15(21)13(7-20)12-2-1-11(19)6-14(12)18/h1-6,13,15,21H,7,20H2
InChIKeyPKHLBJFXIQWNMY-UHFFFAOYSA-N
XLogP4.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65189681
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65188011
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65189585
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol (CID 107981145) is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol is NCC(c1ccc(F)cc1Cl)C(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol?
The InChIKey is PKHLBJFXIQWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClFNO/c16-9-3-8(4-10(17)5-9)15(21)13(7-20)12-2-1-11(19)6-14(12)18/h1-6,13,15,21H,7,20H2.
What are the key properties of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol?
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol has a molecular weight of 437.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol is sourced from PubChem (CID 107981145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).