N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine

C10H12Cl2N2 — CID 11447579

IUPACN-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2N2/c1-14(2)13-7-6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3/b13-7+
InChIKeyLJVXEYFDPZZCLS-NTUHNPAUSA-N
MW231.13 g/mol
LogP3.08
Rot. Bonds3

About N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine

N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine (PubChem CID 11447579) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine
PubChem CID11447579
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC NameN-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2N2/c1-14(2)13-7-6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3/b13-7+
InChIKeyLJVXEYFDPZZCLS-NTUHNPAUSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.08
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'}

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Related Compounds

CID 5702063
CID 5702063
CID 3517
CID 3517
CID 5353646
CID 5353646
CID 9578518
CID 9578518
CID 9577025
CID 9577025
CID 4382713
CID 4382713
CID 9577612
CID 9577612
CID 5374885
CID 5374885
CID 5712552
CID 5712552
CID 46228699
CID 46228699
CID 11206679
CID 11206679
CID 6085737
CID 6085737

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine (CID 11447579) is N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine is CN(C)/N=C/Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine?
The InChIKey is LJVXEYFDPZZCLS-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-14(2)13-7-6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3/b13-7+.
What are the key properties of N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine?
N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine has a molecular weight of 231.13 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 11447579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).