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

C15H20N2S — CID 62487214

IUPAC1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCN(Cc1ccsc1)CC(C)(N)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-15(16,14-6-4-3-5-7-14)12-17(2)10-13-8-9-18-11-13/h3-9,11H,10,12,16H2,1-2H3
InChIKeyJPHHQYPVSGRFKG-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.05
Rot. Bonds5

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

1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine (PubChem CID 62487214) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
PubChem CID62487214
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCN(Cc1ccsc1)CC(C)(N)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-15(16,14-6-4-3-5-7-14)12-17(2)10-13-8-9-18-11-13/h3-9,11H,10,12,16H2,1-2H3
InChIKeyJPHHQYPVSGRFKG-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487226
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 66452759
1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine
CID 62487917
1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
CID 62487909
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258544
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 55051728
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62263027
2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62422105
1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62489695

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine (CID 62487214) is 1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine is CN(Cc1ccsc1)CC(C)(N)c1ccccc1.
What is the InChIKey of 1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The InChIKey is JPHHQYPVSGRFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(16,14-6-4-3-5-7-14)12-17(2)10-13-8-9-18-11-13/h3-9,11H,10,12,16H2,1-2H3.
What are the key properties of 1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine has a molecular weight of 260.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62487214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).