2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride

C15H20ClNOS — CID 6473116

IUPAC2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
SMILESCOc1ccc(CCNCc2sccc2C)cc1.Cl
InChIInChI=1S/C15H19NOS.ClH/c1-12-8-10-18-15(12)11-16-9-7-13-3-5-14(17-2)6-4-13;/h3-6,8,10,16H,7,9,11H2,1-2H3;1H
InChIKeyNMFYIMMLOCYDBH-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.82
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride

2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride (PubChem CID 6473116) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
PubChem CID6473116
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
SMILESCOc1ccc(CCNCc2sccc2C)cc1.Cl
InChIInChI=1S/C15H19NOS.ClH/c1-12-8-10-18-15(12)11-16-9-7-13-3-5-14(17-2)6-4-13;/h3-6,8,10,16H,7,9,11H2,1-2H3;1H
InChIKeyNMFYIMMLOCYDBH-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride (CID 6473116) is 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride is COc1ccc(CCNCc2sccc2C)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride?
The InChIKey is NMFYIMMLOCYDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS.ClH/c1-12-8-10-18-15(12)11-16-9-7-13-3-5-14(17-2)6-4-13;/h3-6,8,10,16H,7,9,11H2,1-2H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride?
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride has a molecular weight of 297.85 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 6473116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).