N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine

C15H19NS — CID 65104510

IUPACN-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1csc(C)c1
InChIInChI=1S/C15H19NS/c1-11-4-6-13(7-5-11)9-15(16-3)14-8-12(2)17-10-14/h4-8,10,15-16H,9H2,1-3H3
InChIKeyIBHJTEJXDFQUCO-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.87
Rot. Bonds4

About N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine

N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine (PubChem CID 65104510) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
PubChem CID65104510
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1csc(C)c1
InChIInChI=1S/C15H19NS/c1-11-4-6-13(7-5-11)9-15(16-3)14-8-12(2)17-10-14/h4-8,10,15-16H,9H2,1-3H3
InChIKeyIBHJTEJXDFQUCO-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-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 104991463
N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine
CID 65104741
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
[2-(4-bromophenyl)-1-(5-methylthiophen-3-yl)ethyl]hydrazine
CID 105195665
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721
2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65105091
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686
N-ethyl-1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanamine
CID 65104859
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143698
N-methyl-1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 105155405

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine (CID 65104510) is N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine is CNC(Cc1ccc(C)cc1)c1csc(C)c1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine?
The InChIKey is IBHJTEJXDFQUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-11-4-6-13(7-5-11)9-15(16-3)14-8-12(2)17-10-14/h4-8,10,15-16H,9H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine?
N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine 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 N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 65104510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).