2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol

C18H20N2O — CID 162672948

IUPAC2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O/c21-18-9-5-4-8-16(18)12-19-17-10-11-20(14-17)13-15-6-2-1-3-7-15/h1-9,12,17,21H,10-11,13-14H2/b19-12+
InChIKeyZKSWOPXEHZPXIM-XDHOZWIPSA-N
MW280.37 g/mol
LogP3.09
Rot. Bonds4

About 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol

2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol (PubChem CID 162672948) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol
PubChem CID162672948
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O/c21-18-9-5-4-8-16(18)12-19-17-10-11-20(14-17)13-15-6-2-1-3-7-15/h1-9,12,17,21H,10-11,13-14H2/b19-12+
InChIKeyZKSWOPXEHZPXIM-XDHOZWIPSA-N
XLogP3.09
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Disalicylidene-1,2-propanediamine
CID 7210
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-
CID 115824
Norletimol
CID 71643
N,N'-bis(2-hydroxybenzylidene)pentane-1,5-diamine
CID 2318645
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}phenol
CID 135576688
2-[[[1-(Phenylmethyl)-3-pyrrolidinyl]amino]methyl]phenol
CID 43714655
2-{(E)-[(1-phenylethyl)imino]methyl}phenol
CID 98125
Phenol, 2-(4,5-dihydro-1-methyl-5-phenyl-1H-imidazol-2-yl)-
CID 3070221
2,2'-{[2-(2-hydroxyphenyl)imidazolidine-1,3-diyl]bis[ethane-2,1-diylnitrilo(E)methylylidene]}diphenol
CID 256880
2-[(1-Benzylpiperidin-4-yl)iminomethyl]phenol
CID 135595416
4-[(1-Benzylpiperidin-4-yl)iminomethyl]phenol
CID 155524198

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol?
The IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol (CID 162672948) is 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol is Oc1ccccc1/C=N/C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol?
The InChIKey is ZKSWOPXEHZPXIM-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18-9-5-4-8-16(18)12-19-17-10-11-20(14-17)13-15-6-2-1-3-7-15/h1-9,12,17,21H,10-11,13-14H2/b19-12+.
What are the key properties of 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol?
2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol has a molecular weight of 280.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-3-yl)iminomethyl]phenol is sourced from PubChem (CID 162672948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).