N-methyl-2-(4-methylthiophen-2-yl)ethanamine

C8H13NS — CID 82595725

IUPACN-methyl-2-(4-methylthiophen-2-yl)ethanamine
SMILESCNCCc1cc(C)cs1
InChIInChI=1S/C8H13NS/c1-7-5-8(10-6-7)3-4-9-2/h5-6,9H,3-4H2,1-2H3
InChIKeyRGZLEIIDZKYIJR-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.82
Rot. Bonds3

About N-methyl-2-(4-methylthiophen-2-yl)ethanamine

N-methyl-2-(4-methylthiophen-2-yl)ethanamine (PubChem CID 82595725) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-methyl-2-(4-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylthiophen-2-yl)ethanamine
PubChem CID82595725
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-methyl-2-(4-methylthiophen-2-yl)ethanamine
SMILESCNCCc1cc(C)cs1
InChIInChI=1S/C8H13NS/c1-7-5-8(10-6-7)3-4-9-2/h5-6,9H,3-4H2,1-2H3
InChIKeyRGZLEIIDZKYIJR-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylthiophen-2-yl)ethanamine (CID 82595725) is N-methyl-2-(4-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylthiophen-2-yl)ethanamine is CNCCc1cc(C)cs1.
What is the InChIKey of N-methyl-2-(4-methylthiophen-2-yl)ethanamine?
The InChIKey is RGZLEIIDZKYIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7-5-8(10-6-7)3-4-9-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylthiophen-2-yl)ethanamine?
N-methyl-2-(4-methylthiophen-2-yl)ethanamine has a molecular weight of 155.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 82595725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).