2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol

C20H26N2O2 — CID 135758257

IUPAC2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol
SMILESCCN(CC)[C@@H](C/N=C/c1cc(OC)ccc1O)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-4-22(5-2)19(16-9-7-6-8-10-16)15-21-14-17-13-18(24-3)11-12-20(17)23/h6-14,19,23H,4-5,15H2,1-3H3/b21-14+/t19-/m0/s1
InChIKeyJZWFEZXVOLVLSG-ORTNRGLGSA-N
MW326.44 g/mol
LogP3.90
Rot. Bonds8

About 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol

2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol (PubChem CID 135758257) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol
PubChem CID135758257
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol
SMILESCCN(CC)[C@@H](C/N=C/c1cc(OC)ccc1O)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-4-22(5-2)19(16-9-7-6-8-10-16)15-21-14-17-13-18(24-3)11-12-20(17)23/h6-14,19,23H,4-5,15H2,1-3H3/b21-14+/t19-/m0/s1
InChIKeyJZWFEZXVOLVLSG-ORTNRGLGSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757984
2-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757942
4-bromo-2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]iminomethyl]phenol
CID 135758010
[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 135758068
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
4-[[2-(diethylamino)-2-phenylethyl]iminomethyl]-3-hydroxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 135931048
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135598202
2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]iminomethyl]-4-methoxyphenol
CID 135598129
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol (CID 135758257) is 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol is CCN(CC)[C@@H](C/N=C/c1cc(OC)ccc1O)c1ccccc1.
What is the InChIKey of 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol?
The InChIKey is JZWFEZXVOLVLSG-ORTNRGLGSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-22(5-2)19(16-9-7-6-8-10-16)15-21-14-17-13-18(24-3)11-12-20(17)23/h6-14,19,23H,4-5,15H2,1-3H3/b21-14+/t19-/m0/s1.
What are the key properties of 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol?
2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol has a molecular weight of 326.44 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 135758257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).