3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol

C15H13BrCl2FNO — CID 114561223

IUPAC3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)c1c(F)cccc1Br
InChIInChI=1S/C15H13BrCl2FNO/c16-10-2-1-3-13(19)14(10)15(21)9(7-20)8-4-5-11(17)12(18)6-8/h1-6,9,15,21H,7,20H2
InChIKeyFGPTVICZKMIFFN-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.67
Rot. Bonds4

About 3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol

3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol (PubChem CID 114561223) has the molecular formula C15H13BrCl2FNO and a molecular weight of 393.08 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
PubChem CID114561223
Molecular FormulaC15H13BrCl2FNO
Molecular Weight393.08 g/mol
Exact Mass390.95
IUPAC Name3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)c1c(F)cccc1Br
InChIInChI=1S/C15H13BrCl2FNO/c16-10-2-1-3-13(19)14(10)15(21)9(7-20)8-4-5-11(17)12(18)6-8/h1-6,9,15,21H,7,20H2
InChIKeyFGPTVICZKMIFFN-UHFFFAOYSA-N
XLogP4.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65190263
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65189963
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 81117504
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
CID 65186668
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol (CID 114561223) is 3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol is NCC(c1ccc(Cl)c(Cl)c1)C(O)c1c(F)cccc1Br.
What is the InChIKey of 3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol?
The InChIKey is FGPTVICZKMIFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FNO/c16-10-2-1-3-13(19)14(10)15(21)9(7-20)8-4-5-11(17)12(18)6-8/h1-6,9,15,21H,7,20H2.
What are the key properties of 3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol?
3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol has a molecular weight of 393.08 g/mol, XLogP of 4.67, 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-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 114561223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).