1-[(2,6-dichlorophenyl)methylideneamino]ethanol

C9H9Cl2NO — CID 56981300

IUPAC1-[(2,6-dichlorophenyl)methylideneamino]ethanol
SMILESCC(O)N=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-6,13H,1H3
InChIKeyMHBOWTCYNICBRW-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.75
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methylideneamino]ethanol

1-[(2,6-dichlorophenyl)methylideneamino]ethanol (PubChem CID 56981300) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methylideneamino]ethanol.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methylideneamino]ethanol
PubChem CID56981300
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name1-[(2,6-dichlorophenyl)methylideneamino]ethanol
SMILESCC(O)N=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-6,13H,1H3
InChIKeyMHBOWTCYNICBRW-UHFFFAOYSA-N
XLogP2.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-methylpropanamide
CID 14593053
1-(benzylideneamino)ethanol
CID 66697160
[(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium
CID 124926466
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 4270440
1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine
CID 175609254
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6026974
2-[(2,6-dichlorophenyl)methylideneamino]phenol
CID 677290
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylthiourea
CID 6902921
N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide
CID 54053602
methyl N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidothioate
CID 172916516
2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide
CID 57192756

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methylideneamino]ethanol?
The IUPAC name of 1-[(2,6-dichlorophenyl)methylideneamino]ethanol (CID 56981300) is 1-[(2,6-dichlorophenyl)methylideneamino]ethanol.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methylideneamino]ethanol?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methylideneamino]ethanol is CC(O)N=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methylideneamino]ethanol?
The InChIKey is MHBOWTCYNICBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-6,13H,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methylideneamino]ethanol?
1-[(2,6-dichlorophenyl)methylideneamino]ethanol has a molecular weight of 218.08 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methylideneamino]ethanol is sourced from PubChem (CID 56981300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).