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

C13H15BrN2S — CID 39449518

IUPACN'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1cccs1)c1ccccc1Br
InChIInChI=1S/C13H15BrN2S/c14-12-5-1-2-6-13(12)16(8-7-15)10-11-4-3-9-17-11/h1-6,9H,7-8,10,15H2
InChIKeyYUNDBMSMTSNOEG-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.48
Rot. Bonds5

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

N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 39449518) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID39449518
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1cccs1)c1ccccc1Br
InChIInChI=1S/C13H15BrN2S/c14-12-5-1-2-6-13(12)16(8-7-15)10-11-4-3-9-17-11/h1-6,9H,7-8,10,15H2
InChIKeyYUNDBMSMTSNOEG-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 28770521
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 28771874
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39364504
3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 82797609
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 114880619
(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940163
2-(bromomethyl)-3-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081314
2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 55235413

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 39449518) is N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is NCCN(Cc1cccs1)c1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is YUNDBMSMTSNOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c14-12-5-1-2-6-13(12)16(8-7-15)10-11-4-3-9-17-11/h1-6,9H,7-8,10,15H2.
What are the key properties of N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 311.25 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 39449518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).