2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide

C11H15ClN2 — CID 169369579

IUPAC2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
SMILESCC(C)c1cccc(/N=C(/N)CCl)c1
InChIInChI=1S/C11H15ClN2/c1-8(2)9-4-3-5-10(6-9)14-11(13)7-12/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyPYOQLWPACKCFPB-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.04
Rot. Bonds3

About 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide

2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide (PubChem CID 169369579) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
PubChem CID169369579
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
SMILESCC(C)c1cccc(/N=C(/N)CCl)c1
InChIInChI=1S/C11H15ClN2/c1-8(2)9-4-3-5-10(6-9)14-11(13)7-12/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyPYOQLWPACKCFPB-UHFFFAOYSA-N
XLogP3.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide (CID 169369579) is 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide is CC(C)c1cccc(/N=C(/N)CCl)c1.
What is the InChIKey of 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide?
The InChIKey is PYOQLWPACKCFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8(2)9-4-3-5-10(6-9)14-11(13)7-12/h3-6,8H,7H2,1-2H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide?
2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide has a molecular weight of 210.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide is sourced from PubChem (CID 169369579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).