2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol

C20H23ClN2O2 — CID 135757753

IUPAC2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/C[C@H](c2ccccc2Cl)N2CCCC2)c1O
InChIInChI=1S/C20H23ClN2O2/c1-25-19-10-6-7-15(20(19)24)13-22-14-18(23-11-4-5-12-23)16-8-2-3-9-17(16)21/h2-3,6-10,13,18,24H,4-5,11-12,14H2,1H3/b22-13+/t18-/m1/s1
InChIKeyVJINKTQESHOWIO-MNOULKQQSA-N
MW358.87 g/mol
LogP4.31
Rot. Bonds6

About 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol

2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol (PubChem CID 135757753) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol
PubChem CID135757753
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/C[C@H](c2ccccc2Cl)N2CCCC2)c1O
InChIInChI=1S/C20H23ClN2O2/c1-25-19-10-6-7-15(20(19)24)13-22-14-18(23-11-4-5-12-23)16-8-2-3-9-17(16)21/h2-3,6-10,13,18,24H,4-5,11-12,14H2,1H3/b22-13+/t18-/m1/s1
InChIKeyVJINKTQESHOWIO-MNOULKQQSA-N
XLogP4.31
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.31
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-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol
CID 135758285
[(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium
CID 135758516
2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135597885
2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-4-nitrophenol
CID 135758161
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
CID 82041916
6-hydroxy-5-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135680734
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-methoxy-6-(2-morpholin-4-ylethyliminomethyl)phenol
CID 4072556
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111029003

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol (CID 135757753) is 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol is COc1cccc(/C=N/C[C@H](c2ccccc2Cl)N2CCCC2)c1O.
What is the InChIKey of 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol?
The InChIKey is VJINKTQESHOWIO-MNOULKQQSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-25-19-10-6-7-15(20(19)24)13-22-14-18(23-11-4-5-12-23)16-8-2-3-9-17(16)21/h2-3,6-10,13,18,24H,4-5,11-12,14H2,1H3/b22-13+/t18-/m1/s1.
What are the key properties of 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol?
2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol has a molecular weight of 358.87 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135757753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).