1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol

C17H19Br2NO2 — CID 3998197

IUPAC1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccc(Br)cc1)CC(O)COc1cccc(Br)c1
InChIInChI=1S/C17H19Br2NO2/c1-20(10-13-5-7-14(18)8-6-13)11-16(21)12-22-17-4-2-3-15(19)9-17/h2-9,16,21H,10-12H2,1H3
InChIKeyANGVEPFEISKGIC-UHFFFAOYSA-N
MW429.15 g/mol
LogP4.08
Rot. Bonds7

About 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol

1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol (PubChem CID 3998197) has the molecular formula C17H19Br2NO2 and a molecular weight of 429.15 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol
PubChem CID3998197
Molecular FormulaC17H19Br2NO2
Molecular Weight429.15 g/mol
Exact Mass426.98
IUPAC Name1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccc(Br)cc1)CC(O)COc1cccc(Br)c1
InChIInChI=1S/C17H19Br2NO2/c1-20(10-13-5-7-14(18)8-6-13)11-16(21)12-22-17-4-2-3-15(19)9-17/h2-9,16,21H,10-12H2,1H3
InChIKeyANGVEPFEISKGIC-UHFFFAOYSA-N
XLogP4.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.15
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol (CID 3998197) is 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol is CN(Cc1ccc(Br)cc1)CC(O)COc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol?
The InChIKey is ANGVEPFEISKGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO2/c1-20(10-13-5-7-14(18)8-6-13)11-16(21)12-22-17-4-2-3-15(19)9-17/h2-9,16,21H,10-12H2,1H3.
What are the key properties of 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol?
1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol has a molecular weight of 429.15 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 3998197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).