2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide

C11H15ClN2 — CID 169364909

IUPAC2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
SMILESCc1cc(C)c(/N=C(/N)CCl)c(C)c1
InChIInChI=1S/C11H15ClN2/c1-7-4-8(2)11(9(3)5-7)14-10(13)6-12/h4-5H,6H2,1-3H3,(H2,13,14)
InChIKeySVRQZSCMZPSOPX-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.84
Rot. Bonds2

About 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide

2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide (PubChem CID 169364909) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
PubChem CID169364909
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
SMILESCc1cc(C)c(/N=C(/N)CCl)c(C)c1
InChIInChI=1S/C11H15ClN2/c1-7-4-8(2)11(9(3)5-7)14-10(13)6-12/h4-5H,6H2,1-3H3,(H2,13,14)
InChIKeySVRQZSCMZPSOPX-UHFFFAOYSA-N
XLogP2.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
CID 169365515
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
CID 169369151
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
CID 169366726
2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide
CID 169366117
2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide
CID 169365470
N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
CID 169365280
N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
N-(2,4,6-trimethylphenyl)pentan-3-imine
CID 45096866
2-(2-chloro-4,6-dimethylphenyl)guanidine
CID 57071675

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide (CID 169364909) is 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide is Cc1cc(C)c(/N=C(/N)CCl)c(C)c1.
What is the InChIKey of 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide?
The InChIKey is SVRQZSCMZPSOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-7-4-8(2)11(9(3)5-7)14-10(13)6-12/h4-5H,6H2,1-3H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide?
2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide has a molecular weight of 210.71 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide is sourced from PubChem (CID 169364909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).