N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine

C10H12ClFN2 — CID 11206679

IUPACN-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2/c1-14(2)13-6-5-8-3-4-9(12)7-10(8)11/h3-4,6-7H,5H2,1-2H3/b13-6+
InChIKeyYZEQFRZYJVBOAZ-AWNIVKPZSA-N
MW214.67 g/mol
LogP2.57
Rot. Bonds3

About N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine

N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine (PubChem CID 11206679) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine
PubChem CID11206679
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC NameN-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2/c1-14(2)13-6-5-8-3-4-9(12)7-10(8)11/h3-4,6-7H,5H2,1-2H3/b13-6+
InChIKeyYZEQFRZYJVBOAZ-AWNIVKPZSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-chloro-4-fluorophenyl)ethylideneamino]-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

Related Compounds

Benzaldehyde, p-chloro-, dimethylhydrazone
CID 9578518
N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine
CID 5374885
N-[(E)-2-(2-chloro-6-fluorophenyl)ethylideneamino]-N-methylmethanamine
CID 134857748
N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine
CID 11447579
(E)-2-(2-chlorophenyl)ethylidenehydrazine
CID 76308012
Methanamine, N-[(2-chlorophenyl)methylene]-
CID 519502
2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]guanidine
CID 8037549
1-{[(2-Chloro-6-fluorophenyl)methylidene]amino}guanidine
CID 9718976
1-Butanamine, N-[(2-chloro-6-fluorophenyl)methylene]-
CID 11138446
1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
CID 18736702
(2-Chloro-6-fluorophenyl)methylidene-dimethylazanium
CID 21985313
(2-Chloro-4-fluorophenyl)methylidene-dimethylazanium
CID 21985316

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine (CID 11206679) is N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine is CN(C)/N=C/Cc1ccc(F)cc1Cl.
What is the InChIKey of N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine?
The InChIKey is YZEQFRZYJVBOAZ-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H12ClFN2/c1-14(2)13-6-5-8-3-4-9(12)7-10(8)11/h3-4,6-7H,5H2,1-2H3/b13-6+.
What are the key properties of N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine?
N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine has a molecular weight of 214.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 11206679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).