1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine

C15H19NS — CID 65238920

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cc(C)c(C)s1
InChIInChI=1S/C15H19NS/c1-11-9-15(17-12(11)2)14(16-3)10-13-7-5-4-6-8-13/h4-9,14,16H,10H2,1-3H3
InChIKeyLXYCDPWNAQJFCP-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.87
Rot. Bonds4

About 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine

1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine (PubChem CID 65238920) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine
PubChem CID65238920
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cc(C)c(C)s1
InChIInChI=1S/C15H19NS/c1-11-9-15(17-12(11)2)14(16-3)10-13-7-5-4-6-8-13/h4-9,14,16H,10H2,1-3H3
InChIKeyLXYCDPWNAQJFCP-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 105412321
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066
2-(5-chlorothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 115841555
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
CID 102828408
N-methyl-2-phenyl-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43484059
2-(2-chloro-4-methylphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 106865957
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025411
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
1-(4,5-dimethylthiophen-2-yl)-N-methylhex-4-yn-1-amine
CID 105037280
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 105003494
1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846218

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine (CID 65238920) is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine?
The InChIKey is LXYCDPWNAQJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-11-9-15(17-12(11)2)14(16-3)10-13-7-5-4-6-8-13/h4-9,14,16H,10H2,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine?
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine has a molecular weight of 245.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 65238920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).