2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol

C20H24N2O2 — CID 135758285

IUPAC2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/C[C@@H](c2ccccc2)N2CCCC2)c1O
InChIInChI=1S/C20H24N2O2/c1-24-19-11-7-10-17(20(19)23)14-21-15-18(22-12-5-6-13-22)16-8-3-2-4-9-16/h2-4,7-11,14,18,23H,5-6,12-13,15H2,1H3/b21-14+/t18-/m0/s1
InChIKeyQTWMXEPQTSAIBA-SXZORUHJSA-N
MW324.42 g/mol
LogP3.66
Rot. Bonds6

About 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol

2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol (PubChem CID 135758285) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol
PubChem CID135758285
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/C[C@@H](c2ccccc2)N2CCCC2)c1O
InChIInChI=1S/C20H24N2O2/c1-24-19-11-7-10-17(20(19)23)14-21-15-18(22-12-5-6-13-22)16-8-3-2-4-9-16/h2-4,7-11,14,18,23H,5-6,12-13,15H2,1H3/b21-14+/t18-/m0/s1
InChIKeyQTWMXEPQTSAIBA-SXZORUHJSA-N
XLogP3.66
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol
CID 135757753
2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135597885
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-4-nitrophenol
CID 135758161
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol
CID 135757849
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135596533
5-(hydroxymethyl)-2-methyl-4-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]pyridin-3-ol
CID 135828888
[(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium
CID 135758516

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol (CID 135758285) is 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol is COc1cccc(/C=N/C[C@@H](c2ccccc2)N2CCCC2)c1O.
What is the InChIKey of 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol?
The InChIKey is QTWMXEPQTSAIBA-SXZORUHJSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-11-7-10-17(20(19)23)14-21-15-18(22-12-5-6-13-22)16-8-3-2-4-9-16/h2-4,7-11,14,18,23H,5-6,12-13,15H2,1H3/b21-14+/t18-/m0/s1.
What are the key properties of 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol?
2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol has a molecular weight of 324.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135758285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).