N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C17H24N2S — CID 62618052

IUPACN,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCNC(CCN(C)Cc1cccs1)c1ccc(C)cc1
InChIInChI=1S/C17H24N2S/c1-14-6-8-15(9-7-14)17(18-2)10-11-19(3)13-16-5-4-12-20-16/h4-9,12,17-18H,10-11,13H2,1-3H3
InChIKeyCLYKZKUEHOIALX-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.84
Rot. Bonds7

About N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62618052) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62618052
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCNC(CCN(C)Cc1cccs1)c1ccc(C)cc1
InChIInChI=1S/C17H24N2S/c1-14-6-8-15(9-7-14)17(18-2)10-11-19(3)13-16-5-4-12-20-16/h4-9,12,17-18H,10-11,13H2,1-3H3
InChIKeyCLYKZKUEHOIALX-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(5-chlorothiophen-2-yl)methyl]-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618933
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349
N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617370
(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 71092063
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
N-ethyl-1-(3-fluorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645347
N-ethyl-N'-methyl-1-phenyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79490107
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623245

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62618052) is N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CNC(CCN(C)Cc1cccs1)c1ccc(C)cc1.
What is the InChIKey of N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is CLYKZKUEHOIALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-14-6-8-15(9-7-14)17(18-2)10-11-19(3)13-16-5-4-12-20-16/h4-9,12,17-18H,10-11,13H2,1-3H3.
What are the key properties of N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 288.46 g/mol, XLogP of 3.84, 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-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62618052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).