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

C17H19Br2NO — CID 63489449

IUPAC1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Br)c1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H19Br2NO/c1-20(12-13-5-7-15(18)8-6-13)10-9-17(21)14-3-2-4-16(19)11-14/h2-8,11,17,21H,9-10,12H2,1H3
InChIKeyZWJGAAZNCALPRR-UHFFFAOYSA-N
MW413.15 g/mol
LogP4.77
Rot. Bonds6

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

1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol (PubChem CID 63489449) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
PubChem CID63489449
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Br)c1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H19Br2NO/c1-20(12-13-5-7-15(18)8-6-13)10-9-17(21)14-3-2-4-16(19)11-14/h2-8,11,17,21H,9-10,12H2,1H3
InChIKeyZWJGAAZNCALPRR-UHFFFAOYSA-N
XLogP4.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.15
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
1-(3-bromophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 114238120
1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81074618
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 62617468
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol (CID 63489449) is 1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol is CN(CCC(O)c1cccc(Br)c1)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol?
The InChIKey is ZWJGAAZNCALPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-20(12-13-5-7-15(18)8-6-13)10-9-17(21)14-3-2-4-16(19)11-14/h2-8,11,17,21H,9-10,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol?
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol has a molecular weight of 413.15 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 63489449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).