N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

C15H20N2S — CID 62001648

IUPACN-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccccc1N(C)C(CN)c1sccc1C
InChIInChI=1S/C15H20N2S/c1-11-6-4-5-7-13(11)17(3)14(10-16)15-12(2)8-9-18-15/h4-9,14H,10,16H2,1-3H3
InChIKeyAMYOGBJGAVEOSL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 62001648) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID62001648
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccccc1N(C)C(CN)c1sccc1C
InChIInChI=1S/C15H20N2S/c1-11-6-4-5-7-13(11)17(3)14(10-16)15-12(2)8-9-18-15/h4-9,14H,10,16H2,1-3H3
InChIKeyAMYOGBJGAVEOSL-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (CID 62001648) is N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is Cc1ccccc1N(C)C(CN)c1sccc1C.
What is the InChIKey of N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is AMYOGBJGAVEOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-6-4-5-7-13(11)17(3)14(10-16)15-12(2)8-9-18-15/h4-9,14H,10,16H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 260.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62001648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).