4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol

C18H22N2O2S — CID 135758319

IUPAC4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/C[C@H](c2cccs2)N2CCCC2)c1
InChIInChI=1S/C18H22N2O2S/c1-22-15-6-7-17(21)14(11-15)12-19-13-16(18-5-4-10-23-18)20-8-2-3-9-20/h4-7,10-12,16,21H,2-3,8-9,13H2,1H3/b19-12+/t16-/m1/s1
InChIKeyOGOGLKVXSCULMV-PUMYGXPMSA-N
MW330.45 g/mol
LogP3.72
Rot. Bonds6

About 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol

4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol (PubChem CID 135758319) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
PubChem CID135758319
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/C[C@H](c2cccs2)N2CCCC2)c1
InChIInChI=1S/C18H22N2O2S/c1-22-15-6-7-17(21)14(11-15)12-19-13-16(18-5-4-10-23-18)20-8-2-3-9-20/h4-7,10-12,16,21H,2-3,8-9,13H2,1H3/b19-12+/t16-/m1/s1
InChIKeyOGOGLKVXSCULMV-PUMYGXPMSA-N
XLogP3.72
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597912
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135596533
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596201
1-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111780072
2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-4-nitrophenol
CID 135758161
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596199
1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol
CID 135757849
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135598202
2,4-dichloro-6-[[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758215
5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135774363
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757984

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
The IUPAC name of 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol (CID 135758319) is 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol is COc1ccc(O)c(/C=N/C[C@H](c2cccs2)N2CCCC2)c1.
What is the InChIKey of 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
The InChIKey is OGOGLKVXSCULMV-PUMYGXPMSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-15-6-7-17(21)14(11-15)12-19-13-16(18-5-4-10-23-18)20-8-2-3-9-20/h4-7,10-12,16,21H,2-3,8-9,13H2,1H3/b19-12+/t16-/m1/s1.
What are the key properties of 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol has a molecular weight of 330.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135758319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).