1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine

C16H20Br2N2S — CID 63493560

IUPAC1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)Cc1csc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C16H20Br2N2S/c1-19-15(13-4-3-5-14(17)9-13)6-7-20(2)10-12-8-16(18)21-11-12/h3-5,8-9,11,15,19H,6-7,10H2,1-2H3
InChIKeyVJIWQAHXRJWYRP-UHFFFAOYSA-N
MW432.23 g/mol
LogP5.06
Rot. Bonds7

About 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine

1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 63493560) has the molecular formula C16H20Br2N2S and a molecular weight of 432.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID63493560
Molecular FormulaC16H20Br2N2S
Molecular Weight432.23 g/mol
Exact Mass429.97
IUPAC Name1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)Cc1csc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C16H20Br2N2S/c1-19-15(13-4-3-5-14(17)9-13)6-7-20(2)10-12-8-16(18)21-11-12/h3-5,8-9,11,15,19H,6-7,10H2,1-2H3
InChIKeyVJIWQAHXRJWYRP-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62612461
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(3-bromophenyl)-N'-(furan-2-ylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 62617201
N-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 55197214
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol
CID 82777718
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62619786

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine (CID 63493560) is 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine is CNC(CCN(C)Cc1csc(Br)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is VJIWQAHXRJWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2S/c1-19-15(13-4-3-5-14(17)9-13)6-7-20(2)10-12-8-16(18)21-11-12/h3-5,8-9,11,15,19H,6-7,10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine?
1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 432.23 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 63493560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).