1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine

C16H21NS — CID 81155614

IUPAC1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1sc(C)cc1C
InChIInChI=1S/C16H21NS/c1-11-6-5-7-14(8-11)10-15(17-4)16-12(2)9-13(3)18-16/h5-9,15,17H,10H2,1-4H3
InChIKeyWVOXUPWOPUPWPM-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.18
Rot. Bonds4

About 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine

1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 81155614) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID81155614
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1sc(C)cc1C
InChIInChI=1S/C16H21NS/c1-11-6-5-7-14(8-11)10-15(17-4)16-12(2)9-13(3)18-16/h5-9,15,17H,10H2,1-4H3
InChIKeyWVOXUPWOPUPWPM-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-bromo-2-(3-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81157821
N-[1-(3,5-dimethylthiophen-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81156314
N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 65278683
1-(furan-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389574
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 81157269
1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 106652697
1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79594994
2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 81156303
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 65434304
1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 103759785
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 81155614) is 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine is CNC(Cc1cccc(C)c1)c1sc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is WVOXUPWOPUPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-11-6-5-7-14(8-11)10-15(17-4)16-12(2)9-13(3)18-16/h5-9,15,17H,10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine?
1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81155614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).