2-(3-methylphenyl)-1-thiophen-2-ylethanamine

C13H15NS — CID 3062027

IUPAC2-(3-methylphenyl)-1-thiophen-2-ylethanamine
SMILESCc1cccc(CC(N)c2cccs2)c1
InChIInChI=1S/C13H15NS/c1-10-4-2-5-11(8-10)9-12(14)13-6-3-7-15-13/h2-8,12H,9,14H2,1H3
InChIKeyRKMSFLOTCGLCQZ-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.30
Rot. Bonds3

About 2-(3-methylphenyl)-1-thiophen-2-ylethanamine

2-(3-methylphenyl)-1-thiophen-2-ylethanamine (PubChem CID 3062027) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-thiophen-2-ylethanamine
PubChem CID3062027
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-(3-methylphenyl)-1-thiophen-2-ylethanamine
SMILESCc1cccc(CC(N)c2cccs2)c1
InChIInChI=1S/C13H15NS/c1-10-4-2-5-11(8-10)9-12(14)13-6-3-7-15-13/h2-8,12H,9,14H2,1H3
InChIKeyRKMSFLOTCGLCQZ-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-methylphenyl)-1-thiophen-2-ylethanamine (CID 3062027) is 2-(3-methylphenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-methylphenyl)-1-thiophen-2-ylethanamine is Cc1cccc(CC(N)c2cccs2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-thiophen-2-ylethanamine?
The InChIKey is RKMSFLOTCGLCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-10-4-2-5-11(8-10)9-12(14)13-6-3-7-15-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-thiophen-2-ylethanamine?
2-(3-methylphenyl)-1-thiophen-2-ylethanamine has a molecular weight of 217.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 3062027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).