N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide

C11H15ClN2 — CID 130496080

IUPACN'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide
SMILESCc1cccc(/N=C(/N)C(C)C)c1Cl
InChIInChI=1S/C11H15ClN2/c1-7(2)11(13)14-9-6-4-5-8(3)10(9)12/h4-7H,1-3H3,(H2,13,14)
InChIKeyOZQQCEXJLCUZTD-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.29
Rot. Bonds2

About N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide

N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide (PubChem CID 130496080) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide
PubChem CID130496080
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide
SMILESCc1cccc(/N=C(/N)C(C)C)c1Cl
InChIInChI=1S/C11H15ClN2/c1-7(2)11(13)14-9-6-4-5-8(3)10(9)12/h4-7H,1-3H3,(H2,13,14)
InChIKeyOZQQCEXJLCUZTD-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide?
The IUPAC name of N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide (CID 130496080) is N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide is Cc1cccc(/N=C(/N)C(C)C)c1Cl.
What is the InChIKey of N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide?
The InChIKey is OZQQCEXJLCUZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-7(2)11(13)14-9-6-4-5-8(3)10(9)12/h4-7H,1-3H3,(H2,13,14).
What are the key properties of N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide?
N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide has a molecular weight of 210.71 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide is sourced from PubChem (CID 130496080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).