2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine

C14H17NOS — CID 113220352

IUPAC2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
SMILESCOCCNC(c1ccccc1)c1cccs1
InChIInChI=1S/C14H17NOS/c1-16-10-9-15-14(13-8-5-11-17-13)12-6-3-2-4-7-12/h2-8,11,14-15H,9-10H2,1H3
InChIKeyLBBRYPLPFIKDKY-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.07
Rot. Bonds6

About 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine

2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine (PubChem CID 113220352) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
PubChem CID113220352
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
SMILESCOCCNC(c1ccccc1)c1cccs1
InChIInChI=1S/C14H17NOS/c1-16-10-9-15-14(13-8-5-11-17-13)12-6-3-2-4-7-12/h2-8,11,14-15H,9-10H2,1H3
InChIKeyLBBRYPLPFIKDKY-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.07
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

N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843433
2-[(3-methoxypropylamino)-thiophen-2-ylmethyl]benzenethiol
CID 163239844
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine
CID 103388543
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine (CID 113220352) is 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine is COCCNC(c1ccccc1)c1cccs1.
What is the InChIKey of 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is LBBRYPLPFIKDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-16-10-9-15-14(13-8-5-11-17-13)12-6-3-2-4-7-12/h2-8,11,14-15H,9-10H2,1H3.
What are the key properties of 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine?
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 113220352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).