N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C16H22N2S — CID 79494234

IUPACN,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)CCc1cccs1
InChIInChI=1S/C16H22N2S/c1-17-13-16(14-7-4-3-5-8-14)18(2)11-10-15-9-6-12-19-15/h3-9,12,16-17H,10-11,13H2,1-2H3
InChIKeySEPOCXOSQJWKNE-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.18
Rot. Bonds7

About N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 79494234) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID79494234
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)CCc1cccs1
InChIInChI=1S/C16H22N2S/c1-17-13-16(14-7-4-3-5-8-14)18(2)11-10-15-9-6-12-19-15/h3-9,12,16-17H,10-11,13H2,1-2H3
InChIKeySEPOCXOSQJWKNE-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493768
N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine
CID 79858682
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62432915
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 79494234) is N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CNCC(c1ccccc1)N(C)CCc1cccs1.
What is the InChIKey of N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is SEPOCXOSQJWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-17-13-16(14-7-4-3-5-8-14)18(2)11-10-15-9-6-12-19-15/h3-9,12,16-17H,10-11,13H2,1-2H3.
What are the key properties of N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79494234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).