2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol

C22H26N2O2 — CID 135544426

IUPAC2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
SMILESCC1(C)[C@H](/N=C/c2ccccc2O)CC[C@@]1(C)/N=C/c1ccccc1O
InChIInChI=1S/C22H26N2O2/c1-21(2)20(23-14-16-8-4-6-10-18(16)25)12-13-22(21,3)24-15-17-9-5-7-11-19(17)26/h4-11,14-15,20,25-26H,12-13H2,1-3H3/b23-14+,24-15+/t20-,22-/m1/s1
InChIKeyWXLUPJRQLHWGNK-GTQHNUQPSA-N
MW350.46 g/mol
LogP4.58
Rot. Bonds4

About 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol

2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol (PubChem CID 135544426) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
PubChem CID135544426
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
SMILESCC1(C)[C@H](/N=C/c2ccccc2O)CC[C@@]1(C)/N=C/c1ccccc1O
InChIInChI=1S/C22H26N2O2/c1-21(2)20(23-14-16-8-4-6-10-18(16)25)12-13-22(21,3)24-15-17-9-5-7-11-19(17)26/h4-11,14-15,20,25-26H,12-13H2,1-3H3/b23-14+,24-15+/t20-,22-/m1/s1
InChIKeyWXLUPJRQLHWGNK-GTQHNUQPSA-N
XLogP4.58
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol 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-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
CID 137098911
2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
CID 137047925
2-tert-butyl-6-[[(1R,3S)-3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]-4-methylphenol
CID 136786364
2-(cyclopropyliminomethyl)phenol
CID 5242286
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
2-[[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]iminomethyl]phenol
CID 162906862
copper;bis(2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)iminomethyl]phenol)
CID 5127710
2-[(1,1-dioxothiolan-3-yl)iminomethyl]phenol
CID 5150731
2-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]phenol
CID 2407869
2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol
CID 135513792
zinc 2-(methyliminomethyl)phenol
CID 135422153

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol (CID 135544426) is 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol is CC1(C)[C@H](/N=C/c2ccccc2O)CC[C@@]1(C)/N=C/c1ccccc1O.
What is the InChIKey of 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol?
The InChIKey is WXLUPJRQLHWGNK-GTQHNUQPSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-21(2)20(23-14-16-8-4-6-10-18(16)25)12-13-22(21,3)24-15-17-9-5-7-11-19(17)26/h4-11,14-15,20,25-26H,12-13H2,1-3H3/b23-14+,24-15+/t20-,22-/m1/s1.
What are the key properties of 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol?
2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol has a molecular weight of 350.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol is sourced from PubChem (CID 135544426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).