4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol

C22H22N2O2 — CID 154975242

IUPAC4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol
SMILESCNCCOc1ccc(/C(=N/c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-23-15-16-26-21-13-9-18(10-14-21)22(17-7-11-20(25)12-8-17)24-19-5-3-2-4-6-19/h2-14,23,25H,15-16H2,1H3/b24-22+
InChIKeyPUOJFMDFABQJCZ-ZNTNEXAZSA-N
MW346.43 g/mol
LogP4.16
Rot. Bonds7

About 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol

4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol (PubChem CID 154975242) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol
PubChem CID154975242
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol
SMILESCNCCOc1ccc(/C(=N/c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-23-15-16-26-21-13-9-18(10-14-21)22(17-7-11-20(25)12-8-17)24-19-5-3-2-4-6-19/h2-14,23,25H,15-16H2,1H3/b24-22+
InChIKeyPUOJFMDFABQJCZ-ZNTNEXAZSA-N
XLogP4.16
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
N-methyl-3-phenoxypropan-1-amine
CID 22067856
4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol
CID 69327181
4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol
CID 138710634
6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol
CID 123768993
3-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 3035880
3-[2-(methylamino)ethoxy]phenol
CID 83619980
N-methyl-4-[2-(methylamino)ethoxy]benzamide
CID 19915722
N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine
CID 123709984
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
1,4-dibutoxybenzene;phenol
CID 174756360
[4-[4-[2-(methylamino)ethoxy]benzoyl]phenyl] N-[2-[4-(4-hydroxybenzoyl)phenoxy]ethyl]-N-methylcarbamate
CID 176680104

Frequently Asked Questions

What is the IUPAC name of 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol?
The IUPAC name of 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol (CID 154975242) is 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol?
The canonical SMILES for 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol is CNCCOc1ccc(/C(=N/c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol?
The InChIKey is PUOJFMDFABQJCZ-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-23-15-16-26-21-13-9-18(10-14-21)22(17-7-11-20(25)12-8-17)24-19-5-3-2-4-6-19/h2-14,23,25H,15-16H2,1H3/b24-22+.
What are the key properties of 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol?
4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol has a molecular weight of 346.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol is sourced from PubChem (CID 154975242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).