N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine

C15H20N2S — CID 115287665

IUPACN'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1ccc(CN(C)CC(N)c2cccs2)cc1
InChIInChI=1S/C15H20N2S/c1-12-5-7-13(8-6-12)10-17(2)11-14(16)15-4-3-9-18-15/h3-9,14H,10-11,16H2,1-2H3
InChIKeyQOIYZDKWGKHCTQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.19
Rot. Bonds5

About N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine

N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 115287665) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine
PubChem CID115287665
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1ccc(CN(C)CC(N)c2cccs2)cc1
InChIInChI=1S/C15H20N2S/c1-12-5-7-13(8-6-12)10-17(2)11-14(16)15-4-3-9-18-15/h3-9,14H,10-11,16H2,1-2H3
InChIKeyQOIYZDKWGKHCTQ-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287796
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287748
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287870
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 113279452
3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
CID 84753072
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
N-benzyl-N-methyl-3-(4-methylphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 42867719
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 65011782
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
N'-ethyl-1-thiophen-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115287788

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine (CID 115287665) is N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine is Cc1ccc(CN(C)CC(N)c2cccs2)cc1.
What is the InChIKey of N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is QOIYZDKWGKHCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12-5-7-13(8-6-12)10-17(2)11-14(16)15-4-3-9-18-15/h3-9,14H,10-11,16H2,1-2H3.
What are the key properties of N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 260.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 115287665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).