2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol

C20H26N2O2 — CID 135855331

IUPAC2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol
SMILESCCN(CC)Cc1ccc(C/N=C/c2cccc(OC)c2O)cc1
InChIInChI=1S/C20H26N2O2/c1-4-22(5-2)15-17-11-9-16(10-12-17)13-21-14-18-7-6-8-19(24-3)20(18)23/h6-12,14,23H,4-5,13,15H2,1-3H3/b21-14+
InChIKeySROSUKYPQHKDOZ-KGENOOAVSA-N
MW326.44 g/mol
LogP3.86
Rot. Bonds8

About 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol

2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol (PubChem CID 135855331) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol
PubChem CID135855331
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol
SMILESCCN(CC)Cc1ccc(C/N=C/c2cccc(OC)c2O)cc1
InChIInChI=1S/C20H26N2O2/c1-4-22(5-2)15-17-11-9-16(10-12-17)13-21-14-18-7-6-8-19(24-3)20(18)23/h6-12,14,23H,4-5,13,15H2,1-3H3/b21-14+
InChIKeySROSUKYPQHKDOZ-KGENOOAVSA-N
XLogP3.86
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.86
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-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135657498
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-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium
CID 170896531
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol (CID 135855331) is 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol is CCN(CC)Cc1ccc(C/N=C/c2cccc(OC)c2O)cc1.
What is the InChIKey of 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol?
The InChIKey is SROSUKYPQHKDOZ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-22(5-2)15-17-11-9-16(10-12-17)13-21-14-18-7-6-8-19(24-3)20(18)23/h6-12,14,23H,4-5,13,15H2,1-3H3/b21-14+.
What are the key properties of 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol?
2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol has a molecular weight of 326.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135855331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).