2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C9H15NOS — CID 4720503

IUPAC2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCOCCNCc1sccc1C
InChIInChI=1S/C9H15NOS/c1-8-3-6-12-9(8)7-10-4-5-11-2/h3,6,10H,4-5,7H2,1-2H3
InChIKeyWSQARWVUINZESJ-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.79
Rot. Bonds5

About 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 4720503) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID4720503
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCOCCNCc1sccc1C
InChIInChI=1S/C9H15NOS/c1-8-3-6-12-9(8)7-10-4-5-11-2/h3,6,10H,4-5,7H2,1-2H3
InChIKeyWSQARWVUINZESJ-UHFFFAOYSA-N
XLogP1.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.79
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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Related Compounds

2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
CID 65305199
5-[(2-methoxyethylamino)methyl]-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963512
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62597124
2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62584380
N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62553697
2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63505783
2-(3-fluoro-4-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107170989
2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 102657001
2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60664869
2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63273329
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63515590

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 4720503) is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine is COCCNCc1sccc1C.
What is the InChIKey of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is WSQARWVUINZESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8-3-6-12-9(8)7-10-4-5-11-2/h3,6,10H,4-5,7H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 185.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 4720503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).