2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide

C10H12Cl2N2 — CID 63179561

IUPAC2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide
SMILES[H]/N=C(/Cc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C10H12Cl2N2/c1-14(2)10(13)6-7-8(11)4-3-5-9(7)12/h3-5,13H,6H2,1-2H3/b13-10-
InChIKeyYFJVCDIANBMPAP-RAXLEYEMSA-N
MW231.13 g/mol
LogP3.07
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide

2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide (PubChem CID 63179561) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide
PubChem CID63179561
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide
SMILES[H]/N=C(/Cc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C10H12Cl2N2/c1-14(2)10(13)6-7-8(11)4-3-5-9(7)12/h3-5,13H,6H2,1-2H3/b13-10-
InChIKeyYFJVCDIANBMPAP-RAXLEYEMSA-N
XLogP3.07
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenyl)ethanimidamide chloride
CID 45108783
2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide
CID 66153924
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79046022
(E)-3-[(2,6-dichlorophenyl)methyl]-4-hydroxypent-3-en-2-one
CID 7075005
(3-chloro-2-ethylphenyl)methanol
CID 118269686
3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46424487
2-(2,6-dichlorophenyl)ethanimine
CID 57206389
2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476141
ethyl N-[N-[2-(2,6-dichlorophenyl)acetyl]carbamimidoyl]carbamate
CID 135565040
N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063235
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide (CID 63179561) is 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide is [H]/N=C(/Cc1c(Cl)cccc1Cl)N(C)C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide?
The InChIKey is YFJVCDIANBMPAP-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-14(2)10(13)6-7-8(11)4-3-5-9(7)12/h3-5,13H,6H2,1-2H3/b13-10-.
What are the key properties of 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide?
2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide has a molecular weight of 231.13 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 63179561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).