2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide

C10H13ClN2 — CID 169365317

IUPAC2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
SMILESCc1ccc(/N=C(/N)CCl)c(C)c1
InChIInChI=1S/C10H13ClN2/c1-7-3-4-9(8(2)5-7)13-10(12)6-11/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyYQLXHGCCDJNDAM-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.53
Rot. Bonds2

About 2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide

2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide (PubChem CID 169365317) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
PubChem CID169365317
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
SMILESCc1ccc(/N=C(/N)CCl)c(C)c1
InChIInChI=1S/C10H13ClN2/c1-7-3-4-9(8(2)5-7)13-10(12)6-11/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyYQLXHGCCDJNDAM-UHFFFAOYSA-N
XLogP2.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.53
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

2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide
CID 169367592
2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
CID 169364909
methyl 4-[(1-amino-2-chloroethylidene)amino]-3-methylbenzoate
CID 169364915
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)
CID 45049466
4-[(1-amino-2-chloroethylidene)amino]-3-methyl-N-propylbenzamide
CID 169366016
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
bis(1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine);ethene
CID 70011870
2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide
CID 169366117
2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide
CID 169367126
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide (CID 169365317) is 2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide is Cc1ccc(/N=C(/N)CCl)c(C)c1.
What is the InChIKey of 2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide?
The InChIKey is YQLXHGCCDJNDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-7-3-4-9(8(2)5-7)13-10(12)6-11/h3-5H,6H2,1-2H3,(H2,12,13).
What are the key properties of 2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide?
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide has a molecular weight of 196.68 g/mol, XLogP of 2.53, 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-dimethylphenyl)ethanimidamide is sourced from PubChem (CID 169365317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).