N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C16H22N2S — CID 54805900

IUPACN-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCNCc2cccs2)c(C)c1
InChIInChI=1S/C16H22N2S/c1-12-9-13(2)16(14(3)10-12)18-7-6-17-11-15-5-4-8-19-15/h4-5,8-10,17-18H,6-7,11H2,1-3H3
InChIKeyNHTLHXRATWAOPG-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.88
Rot. Bonds6

About N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 54805900) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID54805900
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCNCc2cccs2)c(C)c1
InChIInChI=1S/C16H22N2S/c1-12-9-13(2)16(14(3)10-12)18-7-6-17-11-15-5-4-8-19-15/h4-5,8-10,17-18H,6-7,11H2,1-3H3
InChIKeyNHTLHXRATWAOPG-UHFFFAOYSA-N
XLogP3.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017
N'-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807938
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62599304
N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808025
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807586
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 65244071
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
CID 61150338
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 54805900) is N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(NCCNCc2cccs2)c(C)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is NHTLHXRATWAOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-9-13(2)16(14(3)10-12)18-7-6-17-11-15-5-4-8-19-15/h4-5,8-10,17-18H,6-7,11H2,1-3H3.
What are the key properties of N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).