(2-chloro-4-ethylphenyl) methanimidate

C9H10ClNO — CID 122643512

IUPAC(2-chloro-4-ethylphenyl) methanimidate
SMILES[H]/N=C/Oc1ccc(CC)cc1Cl
InChIInChI=1S/C9H10ClNO/c1-2-7-3-4-9(12-6-11)8(10)5-7/h3-6,11H,2H2,1H3/b11-6+
InChIKeyREDLSEWASSSUNN-IZZDOVSWSA-N
MW183.64 g/mol
LogP2.89
Rot. Bonds3

About (2-chloro-4-ethylphenyl) methanimidate

(2-chloro-4-ethylphenyl) methanimidate (PubChem CID 122643512) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (2-chloro-4-ethylphenyl) methanimidate.

Molecular Properties

Compound Name(2-chloro-4-ethylphenyl) methanimidate
PubChem CID122643512
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(2-chloro-4-ethylphenyl) methanimidate
SMILES[H]/N=C/Oc1ccc(CC)cc1Cl
InChIInChI=1S/C9H10ClNO/c1-2-7-3-4-9(12-6-11)8(10)5-7/h3-6,11H,2H2,1H3/b11-6+
InChIKeyREDLSEWASSSUNN-IZZDOVSWSA-N
XLogP2.89
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.89
H-Bond Donors ≤ 51
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

tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185
4-(2-chloro-4-ethylphenoxy)aniline
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(2-hydroxy-5-pentylphenyl) methanimidate
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[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
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CID 14687915
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
3-chloro-6-ethyl-2-methoxynaphthalene
CID 162345335
2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321
2-(2-chloro-4-ethylphenoxy)pentanoic acid
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2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-ethylphenyl) methanimidate?
The IUPAC name of (2-chloro-4-ethylphenyl) methanimidate (CID 122643512) is (2-chloro-4-ethylphenyl) methanimidate.
What is the SMILES notation for (2-chloro-4-ethylphenyl) methanimidate?
The canonical SMILES for (2-chloro-4-ethylphenyl) methanimidate is [H]/N=C/Oc1ccc(CC)cc1Cl.
What is the InChIKey of (2-chloro-4-ethylphenyl) methanimidate?
The InChIKey is REDLSEWASSSUNN-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-7-3-4-9(12-6-11)8(10)5-7/h3-6,11H,2H2,1H3/b11-6+.
What are the key properties of (2-chloro-4-ethylphenyl) methanimidate?
(2-chloro-4-ethylphenyl) methanimidate has a molecular weight of 183.64 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-ethylphenyl) methanimidate is sourced from PubChem (CID 122643512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).