2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine

C13H18N2OS — CID 66407049

IUPAC2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(Cc2cccs2)c1
InChIInChI=1S/C13H18N2OS/c1-16-7-5-14-9-12-4-6-15(10-12)11-13-3-2-8-17-13/h2-4,6,8,10,14H,5,7,9,11H2,1H3
InChIKeyAGDPUBWGKSNZMA-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.33
Rot. Bonds7

About 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine (PubChem CID 66407049) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
PubChem CID66407049
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(Cc2cccs2)c1
InChIInChI=1S/C13H18N2OS/c1-16-7-5-14-9-12-4-6-15(10-12)11-13-3-2-8-17-13/h2-4,6,8,10,14H,5,7,9,11H2,1H3
InChIKeyAGDPUBWGKSNZMA-UHFFFAOYSA-N
XLogP2.33
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(thiophen-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106720472
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
N-[[1-[(3-bromophenyl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66404821
2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 82870189
2-methoxy-N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404206
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66404611
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
2-methoxy-N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 102878015
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406232
2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404405
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
N-[[1-[(3-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66405427

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine (CID 66407049) is 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine is COCCNCc1ccn(Cc2cccs2)c1.
What is the InChIKey of 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
The InChIKey is AGDPUBWGKSNZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-16-7-5-14-9-12-4-6-15(10-12)11-13-3-2-8-17-13/h2-4,6,8,10,14H,5,7,9,11H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66407049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).