2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine

C9H15NOS — CID 65104473

IUPAC2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCOCCNCc1csc(C)c1
InChIInChI=1S/C9H15NOS/c1-8-5-9(7-12-8)6-10-3-4-11-2/h5,7,10H,3-4,6H2,1-2H3
InChIKeyRNLRPEGIQKQOME-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.79
Rot. Bonds5

About 2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine

2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 65104473) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine
PubChem CID65104473
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCOCCNCc1csc(C)c1
InChIInChI=1S/C9H15NOS/c1-8-5-9(7-12-8)6-10-3-4-11-2/h5,7,10H,3-4,6H2,1-2H3
InChIKeyRNLRPEGIQKQOME-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-[(5-methylthiophen-3-yl)methylamino]acetonitrile
CID 127006290
2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
CID 114820503
N-[(5-methylthiophen-3-yl)methyl]formamide
CID 127006311
N-(2-methoxyethyl)-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79598549
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820560
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
methyl 2-(5-methylthiophen-3-yl)acetate
CID 70418806

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine (CID 65104473) is 2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine is COCCNCc1csc(C)c1.
What is the InChIKey of 2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is RNLRPEGIQKQOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8-5-9(7-12-8)6-10-3-4-11-2/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine?
2-methoxy-N-[(5-methylthiophen-3-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-[(5-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 65104473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).