N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine

C14H16Br2N2S — CID 55196446

IUPACN-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Br)c1)Cc1cc(Br)cs1
InChIInChI=1S/C14H16Br2N2S/c1-18(9-14-8-12(16)10-19-14)6-5-17-13-4-2-3-11(15)7-13/h2-4,7-8,10,17H,5-6,9H2,1H3
InChIKeyXOFUAVNZCHNIDQ-UHFFFAOYSA-N
MW404.17 g/mol
LogP4.82
Rot. Bonds6

About N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine

N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 55196446) has the molecular formula C14H16Br2N2S and a molecular weight of 404.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID55196446
Molecular FormulaC14H16Br2N2S
Molecular Weight404.17 g/mol
Exact Mass401.94
IUPAC NameN-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Br)c1)Cc1cc(Br)cs1
InChIInChI=1S/C14H16Br2N2S/c1-18(9-14-8-12(16)10-19-14)6-5-17-13-4-2-3-11(15)7-13/h2-4,7-8,10,17H,5-6,9H2,1H3
InChIKeyXOFUAVNZCHNIDQ-UHFFFAOYSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.17
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 55197214
N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63503741
N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62559074
N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558207
N'-methyl-N-(3-methylphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560213
N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55090095
N'-[(4-bromothiophen-2-yl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 55090281
N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63504087
N-[(4-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 54942400
1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene
CID 75448728
N'-[(4-bromothiophen-2-yl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62430991
N-(3-bromophenyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666233

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine (CID 55196446) is N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine is CN(CCNc1cccc(Br)c1)Cc1cc(Br)cs1.
What is the InChIKey of N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is XOFUAVNZCHNIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2S/c1-18(9-14-8-12(16)10-19-14)6-5-17-13-4-2-3-11(15)7-13/h2-4,7-8,10,17H,5-6,9H2,1H3.
What are the key properties of N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 404.17 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55196446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).