1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine

C16H22N2S — CID 55018087

IUPAC1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCc1ccccc1C(C(C)N)N(C)Cc1ccsc1
InChIInChI=1S/C16H22N2S/c1-12-6-4-5-7-15(12)16(13(2)17)18(3)10-14-8-9-19-11-14/h4-9,11,13,16H,10,17H2,1-3H3
InChIKeyNNYRZSPHAALKHR-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.58
Rot. Bonds5

About 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine

1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine (PubChem CID 55018087) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
PubChem CID55018087
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCc1ccccc1C(C(C)N)N(C)Cc1ccsc1
InChIInChI=1S/C16H22N2S/c1-12-6-4-5-7-15(12)16(13(2)17)18(3)10-14-8-9-19-11-14/h4-9,11,13,16H,10,17H2,1-3H3
InChIKeyNNYRZSPHAALKHR-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]propanenitrile
CID 55018083
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79385263
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112657415
1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018276
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018331
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-propyl-N-(thiophen-3-ylmethyl)acetamide
CID 97285779
1-[2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 60880324
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine
CID 62949476
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine (CID 55018087) is 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine is Cc1ccccc1C(C(C)N)N(C)Cc1ccsc1.
What is the InChIKey of 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The InChIKey is NNYRZSPHAALKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-6-4-5-7-15(12)16(13(2)17)18(3)10-14-8-9-19-11-14/h4-9,11,13,16H,10,17H2,1-3H3.
What are the key properties of 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 55018087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).