N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide

C10H13ClN2 — CID 25765

IUPACN'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1c(Cl)cccc1/N=C/N(C)C
InChIInChI=1S/C10H13ClN2/c1-8-9(11)5-4-6-10(8)12-7-13(2)3/h4-7H,1-3H3/b12-7+
InChIKeyLHINIZHABFWJGI-KPKJPENVSA-N
MW196.68 g/mol
LogP2.87
Rot. Bonds2

About N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide

N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 25765) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
PubChem CID25765
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC NameN'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1c(Cl)cccc1/N=C/N(C)C
InChIInChI=1S/C10H13ClN2/c1-8-9(11)5-4-6-10(8)12-7-13(2)3/h4-7H,1-3H3/b12-7+
InChIKeyLHINIZHABFWJGI-KPKJPENVSA-N
XLogP2.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide (CID 25765) is N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide is Cc1c(Cl)cccc1/N=C/N(C)C.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is LHINIZHABFWJGI-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-8-9(11)5-4-6-10(8)12-7-13(2)3/h4-7H,1-3H3/b12-7+.
What are the key properties of N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide?
N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 196.68 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 25765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).