2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol

C23H23N3O2 — CID 177409649

IUPAC2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol
SMILESCN(C)c1ccc(C(/N=C/c2ccccc2O)/N=C/c2ccccc2O)cc1
InChIInChI=1S/C23H23N3O2/c1-26(2)20-13-11-17(12-14-20)23(24-15-18-7-3-5-9-21(18)27)25-16-19-8-4-6-10-22(19)28/h3-16,23,27-28H,1-2H3/b24-15+,25-16+
InChIKeyNFVBUWGQGJCYDF-FEZYOMQXSA-N
MW373.46 g/mol
LogP4.40
Rot. Bonds6

About 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol

2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol (PubChem CID 177409649) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol
PubChem CID177409649
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol
SMILESCN(C)c1ccc(C(/N=C/c2ccccc2O)/N=C/c2ccccc2O)cc1
InChIInChI=1S/C23H23N3O2/c1-26(2)20-13-11-17(12-14-20)23(24-15-18-7-3-5-9-21(18)27)25-16-19-8-4-6-10-22(19)28/h3-16,23,27-28H,1-2H3/b24-15+,25-16+
InChIKeyNFVBUWGQGJCYDF-FEZYOMQXSA-N
XLogP4.40
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135478785
2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt
CID 135514483
2-[(E)-[(Z)-[(Z)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]hydrazinylidene]methyl]phenol
CID 136795131
5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135581379
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397
2-[[(1R,2S)-1,2-bis(3-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135431645
CID 155704691
CID 155704691
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 52936922

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol?
The IUPAC name of 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol (CID 177409649) is 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol?
The canonical SMILES for 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol is CN(C)c1ccc(C(/N=C/c2ccccc2O)/N=C/c2ccccc2O)cc1.
What is the InChIKey of 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol?
The InChIKey is NFVBUWGQGJCYDF-FEZYOMQXSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26(2)20-13-11-17(12-14-20)23(24-15-18-7-3-5-9-21(18)27)25-16-19-8-4-6-10-22(19)28/h3-16,23,27-28H,1-2H3/b24-15+,25-16+.
What are the key properties of 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol?
2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol has a molecular weight of 373.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol is sourced from PubChem (CID 177409649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).