2-(3-chloro-2-methoxyphenyl)ethanimidamide

C9H11ClN2O — CID 83676619

IUPAC2-(3-chloro-2-methoxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(Cl)c1OC
InChIInChI=1S/C9H11ClN2O/c1-13-9-6(5-8(11)12)3-2-4-7(9)10/h2-4H,5H2,1H3,(H3,11,12)
InChIKeyXOHVAFILECAYMW-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-chloro-2-methoxyphenyl)ethanimidamide

2-(3-chloro-2-methoxyphenyl)ethanimidamide (PubChem CID 83676619) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(3-chloro-2-methoxyphenyl)ethanimidamide
PubChem CID83676619
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-(3-chloro-2-methoxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(Cl)c1OC
InChIInChI=1S/C9H11ClN2O/c1-13-9-6(5-8(11)12)3-2-4-7(9)10/h2-4H,5H2,1H3,(H3,11,12)
InChIKeyXOHVAFILECAYMW-UHFFFAOYSA-N
XLogP1.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromo-3-chlorophenyl)ethanimidamide
CID 141257602
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
2-(2,6-dichlorophenyl)ethanimidamide chloride
CID 45108783
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-(6-methoxy-2-pyridinyl)ethanimidamide
CID 63986887
2-(1,2-benzothiazol-4-yl)ethanimidamide
CID 83877838
3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
CID 82618683
ethyl 2-chloro-6-methoxybenzenecarboximidate
CID 104817644
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610454
methyl 2-(2,6-dichlorophenoxy)ethanimidate
CID 82290475
2-(2-methoxy-5-phenylphenyl)ethanimidamide
CID 91757147
2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methoxyphenyl)ethanimidamide?
The IUPAC name of 2-(3-chloro-2-methoxyphenyl)ethanimidamide (CID 83676619) is 2-(3-chloro-2-methoxyphenyl)ethanimidamide.
What is the SMILES notation for 2-(3-chloro-2-methoxyphenyl)ethanimidamide?
The canonical SMILES for 2-(3-chloro-2-methoxyphenyl)ethanimidamide is [H]/N=C(\N)Cc1cccc(Cl)c1OC.
What is the InChIKey of 2-(3-chloro-2-methoxyphenyl)ethanimidamide?
The InChIKey is XOHVAFILECAYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-13-9-6(5-8(11)12)3-2-4-7(9)10/h2-4H,5H2,1H3,(H3,11,12).
What are the key properties of 2-(3-chloro-2-methoxyphenyl)ethanimidamide?
2-(3-chloro-2-methoxyphenyl)ethanimidamide has a molecular weight of 198.65 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 83676619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).