2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol

C17H18N2O2 — CID 89185044

IUPAC2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol
SMILESCN(CCO)c1ccc(/C=C/c2ccc(N=O)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-19(12-13-20)17-10-6-15(7-11-17)3-2-14-4-8-16(18-21)9-5-14/h2-11,20H,12-13H2,1H3/b3-2+
InChIKeyURVODVOUKIBAQU-NSCUHMNNSA-N
MW282.34 g/mol
LogP3.68
Rot. Bonds6

About 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol

2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol (PubChem CID 89185044) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol
PubChem CID89185044
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol
SMILESCN(CCO)c1ccc(/C=C/c2ccc(N=O)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-19(12-13-20)17-10-6-15(7-11-17)3-2-14-4-8-16(18-21)9-5-14/h2-11,20H,12-13H2,1H3/b3-2+
InChIKeyURVODVOUKIBAQU-NSCUHMNNSA-N
XLogP3.68
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol
CID 22450759
2-(4-isocyanato-N-methylanilino)ethanol
CID 169353633
2-[N-methyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 121267836
2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol
CID 169462877
4-N-hydroxy-1-N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 44506545
(E)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-methylprop-2-enoic acid
CID 170873192
(5Z)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylimidazol-4-one
CID 168727613
3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate
CID 7955313
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide
CID 4666849
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9015854
2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol
CID 7955607

Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol?
The IUPAC name of 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol (CID 89185044) is 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol?
The canonical SMILES for 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol is CN(CCO)c1ccc(/C=C/c2ccc(N=O)cc2)cc1.
What is the InChIKey of 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol?
The InChIKey is URVODVOUKIBAQU-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19(12-13-20)17-10-6-15(7-11-17)3-2-14-4-8-16(18-21)9-5-14/h2-11,20H,12-13H2,1H3/b3-2+.
What are the key properties of 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol?
2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol has a molecular weight of 282.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol is sourced from PubChem (CID 89185044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).