N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide

C10H11Cl2N3O — CID 135472993

IUPACN'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H11Cl2N3O/c1-15(2)6-14-13-5-7-3-8(11)4-9(12)10(7)16/h3-6,16H,1-2H3/b13-5+,14-6+
InChIKeyYHGUSVVDLMMHDD-ACFHMISVSA-N
MW260.12 g/mol
LogP2.62
Rot. Bonds3

About N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide

N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide (PubChem CID 135472993) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide
PubChem CID135472993
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC NameN'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H11Cl2N3O/c1-15(2)6-14-13-5-7-3-8(11)4-9(12)10(7)16/h3-6,16H,1-2H3/b13-5+,14-6+
InChIKeyYHGUSVVDLMMHDD-ACFHMISVSA-N
XLogP2.62
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Chloro-salicylaldehyde-guanylhydrazone
CID 248399
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 135545702
3,5-Dichloro-2-hydroxybenzaldehyde oxime
CID 135408734
4-Chloro-alpha-(methylimino)-o-cresol
CID 39505
4-Chloro-alpha(sup 2)-(methylimino)-2,6-xylenol
CID 3047330
4-Chloro-2-[3-(dimethylamino)propyliminomethyl]phenol
CID 424134
2,4-Dichloro-6-((2-hydroxy-ethylimino)-methyl)-phenol
CID 2731517
4-Chloro-2-[(3-diethylaminopropylimino)methyl]phenol
CID 135659272
(E)-2-((3,5-dichloro-2-hydroxybenzylidene)amino)cyclopent-1-enecarbonitrile
CID 5185045
(6E)-2,4-dichloro-6-[[2-[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
CID 135418722
2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
CID 135445489

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide (CID 135472993) is N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide is CN(C)/C=N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide?
The InChIKey is YHGUSVVDLMMHDD-ACFHMISVSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c1-15(2)6-14-13-5-7-3-8(11)4-9(12)10(7)16/h3-6,16H,1-2H3/b13-5+,14-6+.
What are the key properties of N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide?
N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide has a molecular weight of 260.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 135472993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).