2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol

C16H18ClN3O — CID 7955607

IUPAC2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(/C=N\Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O/c1-20(9-10-21)16-7-5-13(6-8-16)12-18-19-15-4-2-3-14(17)11-15/h2-8,11-12,19,21H,9-10H2,1H3/b18-12-
InChIKeyIYESGRIWULJIOL-PDGQHHTCSA-N
MW303.79 g/mol
LogP3.21
Rot. Bonds6

About 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol

2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol (PubChem CID 7955607) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol
PubChem CID7955607
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(/C=N\Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O/c1-20(9-10-21)16-7-5-13(6-8-16)12-18-19-15-4-2-3-14(17)11-15/h2-8,11-12,19,21H,9-10H2,1H3/b18-12-
InChIKeyIYESGRIWULJIOL-PDGQHHTCSA-N
XLogP3.21
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate
CID 7955313
3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 78576663
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135730470
2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol
CID 4840391
3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
CID 7065216
N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline
CID 6263624
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9015854
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol (CID 7955607) is 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol is CN(CCO)c1ccc(/C=N\Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol?
The InChIKey is IYESGRIWULJIOL-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(9-10-21)16-7-5-13(6-8-16)12-18-19-15-4-2-3-14(17)11-15/h2-8,11-12,19,21H,9-10H2,1H3/b18-12-.
What are the key properties of 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol?
2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol has a molecular weight of 303.79 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol is sourced from PubChem (CID 7955607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).