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

C13H16ClNS — CID 3062026

IUPAC2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCc1cccc(CC(N)c2cccs2)c1.Cl
InChIInChI=1S/C13H15NS.ClH/c1-10-4-2-5-11(8-10)9-12(14)13-6-3-7-15-13;/h2-8,12H,9,14H2,1H3;1H
InChIKeyLRVFMJLZOXZIOA-UHFFFAOYSA-N
MW253.80 g/mol
LogP3.72
Rot. Bonds3

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

2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062026) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062026
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC Name2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCc1cccc(CC(N)c2cccs2)c1.Cl
InChIInChI=1S/C13H15NS.ClH/c1-10-4-2-5-11(8-10)9-12(14)13-6-3-7-15-13;/h2-8,12H,9,14H2,1H3;1H
InChIKeyLRVFMJLZOXZIOA-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 53.72
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;hydrochloride?
The IUPAC name of 2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 3062026) is 2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride is Cc1cccc(CC(N)c2cccs2)c1.Cl.
What is the InChIKey of 2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is LRVFMJLZOXZIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS.ClH/c1-10-4-2-5-11(8-10)9-12(14)13-6-3-7-15-13;/h2-8,12H,9,14H2,1H3;1H.
What are the key properties of 2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
2-(3-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 253.80 g/mol, XLogP of 3.72, 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;hydrochloride is sourced from PubChem (CID 3062026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).