2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol

C12H16N2OS — CID 111436535

IUPAC2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
SMILESOCCNCc1cccn1Cc1cccs1
InChIInChI=1S/C12H16N2OS/c15-7-5-13-9-11-3-1-6-14(11)10-12-4-2-8-16-12/h1-4,6,8,13,15H,5,7,9-10H2
InChIKeyHLCCITVTCFAADK-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.68
Rot. Bonds6

About 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol

2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol (PubChem CID 111436535) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
PubChem CID111436535
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
SMILESOCCNCc1cccn1Cc1cccs1
InChIInChI=1S/C12H16N2OS/c15-7-5-13-9-11-3-1-6-14(11)10-12-4-2-8-16-12/h1-4,6,8,13,15H,5,7,9-10H2
InChIKeyHLCCITVTCFAADK-UHFFFAOYSA-N
XLogP1.68
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]propyl]piperidin-4-ol
CID 111436549
N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 64686739
N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 66411681
1-(4-methylphenyl)-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
CID 111436544
1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
[1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol
CID 111468879
1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 11137952
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]methanamine
CID 129000660
1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide
CID 114653630
N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 20886360

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol?
The IUPAC name of 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol (CID 111436535) is 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol?
The canonical SMILES for 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol is OCCNCc1cccn1Cc1cccs1.
What is the InChIKey of 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol?
The InChIKey is HLCCITVTCFAADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-7-5-13-9-11-3-1-6-14(11)10-12-4-2-8-16-12/h1-4,6,8,13,15H,5,7,9-10H2.
What are the key properties of 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol?
2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol has a molecular weight of 236.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol is sourced from PubChem (CID 111436535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).