1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol

C15H16Br2ClNOS — CID 82777718

IUPAC1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Br)cc1Cl)Cc1csc(Br)c1
InChIInChI=1S/C15H16Br2ClNOS/c1-19(8-10-6-15(17)21-9-10)5-4-14(20)12-3-2-11(16)7-13(12)18/h2-3,6-7,9,14,20H,4-5,8H2,1H3
InChIKeyHPDUCTUMVOKBIV-UHFFFAOYSA-N
MW453.63 g/mol
LogP5.48
Rot. Bonds6

About 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol

1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol (PubChem CID 82777718) has the molecular formula C15H16Br2ClNOS and a molecular weight of 453.63 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol
PubChem CID82777718
Molecular FormulaC15H16Br2ClNOS
Molecular Weight453.63 g/mol
Exact Mass450.90
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Br)cc1Cl)Cc1csc(Br)c1
InChIInChI=1S/C15H16Br2ClNOS/c1-19(8-10-6-15(17)21-9-10)5-4-14(20)12-3-2-11(16)7-13(12)18/h2-3,6-7,9,14,20H,4-5,8H2,1H3
InChIKeyHPDUCTUMVOKBIV-UHFFFAOYSA-N
XLogP5.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol with MolForge

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 82776938
1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
CID 82781389
1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554767
1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
CID 82777460
1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 63493560
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584
1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chloropropan-2-ol
CID 112561425
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 82777715
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63501696
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82781390

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol (CID 82777718) is 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol is CN(CCC(O)c1ccc(Br)cc1Cl)Cc1csc(Br)c1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol?
The InChIKey is HPDUCTUMVOKBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2ClNOS/c1-19(8-10-6-15(17)21-9-10)5-4-14(20)12-3-2-11(16)7-13(12)18/h2-3,6-7,9,14,20H,4-5,8H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol has a molecular weight of 453.63 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 82777718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).