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

C15H18Br2N2S — CID 62618426

IUPAC1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Br)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H18Br2N2S/c1-19(9-14-8-13(17)10-20-14)7-6-15(18)11-2-4-12(16)5-3-11/h2-5,8,10,15H,6-7,9,18H2,1H3
InChIKeyQZSMBQCBTMOIHQ-UHFFFAOYSA-N
MW418.20 g/mol
LogP4.80
Rot. Bonds6

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

1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 62618426) has the molecular formula C15H18Br2N2S and a molecular weight of 418.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID62618426
Molecular FormulaC15H18Br2N2S
Molecular Weight418.20 g/mol
Exact Mass415.96
IUPAC Name1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Br)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H18Br2N2S/c1-19(9-14-8-13(17)10-20-14)7-6-15(18)11-2-4-12(16)5-3-11/h2-5,8,10,15H,6-7,9,18H2,1H3
InChIKeyQZSMBQCBTMOIHQ-UHFFFAOYSA-N
XLogP4.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.20
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62619476
N'-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 81079439
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092
3-[(4-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76910166
1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
CID 63494766
1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475450
2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
CID 62053063
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide
CID 63584163
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine (CID 62618426) is 1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine is CN(CCC(N)c1ccc(Br)cc1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is QZSMBQCBTMOIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2S/c1-19(9-14-8-13(17)10-20-14)7-6-15(18)11-2-4-12(16)5-3-11/h2-5,8,10,15H,6-7,9,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 418.20 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62618426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).