N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C14H17BrN2S — CID 55090095

IUPACN-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNc1ccc(Br)cc1)Cc1cccs1
InChIInChI=1S/C14H17BrN2S/c1-17(11-14-3-2-10-18-14)9-8-16-13-6-4-12(15)5-7-13/h2-7,10,16H,8-9,11H2,1H3
InChIKeyUDIDTHDMKAXZJG-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.05
Rot. Bonds6

About N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 55090095) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID55090095
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC NameN-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNc1ccc(Br)cc1)Cc1cccs1
InChIInChI=1S/C14H17BrN2S/c1-17(11-14-3-2-10-18-14)9-8-16-13-6-4-12(15)5-7-13/h2-7,10,16H,8-9,11H2,1H3
InChIKeyUDIDTHDMKAXZJG-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N-(3-methylphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560213
N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494017
N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63503741
N-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 63502577
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 55196446
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79038374

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 55090095) is N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CN(CCNc1ccc(Br)cc1)Cc1cccs1.
What is the InChIKey of N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is UDIDTHDMKAXZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-17(11-14-3-2-10-18-14)9-8-16-13-6-4-12(15)5-7-13/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 325.28 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55090095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).