N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine

C11H15ClN2O2 — CID 110507443

IUPACN-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCOc1ccc(/C=N/N(C)C)c(Cl)c1OC
InChIInChI=1S/C11H15ClN2O2/c1-14(2)13-7-8-5-6-9(15-3)11(16-4)10(8)12/h5-7H,1-4H3/b13-7+
InChIKeyMZHCFVBPUCTUGQ-NTUHNPAUSA-N
MW242.71 g/mol
LogP2.25
Rot. Bonds4

About N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine

N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine (PubChem CID 110507443) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine
PubChem CID110507443
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCOc1ccc(/C=N/N(C)C)c(Cl)c1OC
InChIInChI=1S/C11H15ClN2O2/c1-14(2)13-7-8-5-6-9(15-3)11(16-4)10(8)12/h5-7H,1-4H3/b13-7+
InChIKeyMZHCFVBPUCTUGQ-NTUHNPAUSA-N
XLogP2.25
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine 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-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine (CID 110507443) is N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine is COc1ccc(/C=N/N(C)C)c(Cl)c1OC.
What is the InChIKey of N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine?
The InChIKey is MZHCFVBPUCTUGQ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(2)13-7-8-5-6-9(15-3)11(16-4)10(8)12/h5-7H,1-4H3/b13-7+.
What are the key properties of N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine?
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine has a molecular weight of 242.71 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110507443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).