N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine

C10H12F2N2 — CID 59962068

IUPACN-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine
SMILESC/C(=N\N(C)C)c1c(F)cccc1F
InChIInChI=1S/C10H12F2N2/c1-7(13-14(2)3)10-8(11)5-4-6-9(10)12/h4-6H,1-3H3/b13-7+
InChIKeyYMOPSJBFWHAETC-NTUHNPAUSA-N
MW198.22 g/mol
LogP2.25
Rot. Bonds2

About N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine

N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine (PubChem CID 59962068) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine
PubChem CID59962068
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine
SMILESC/C(=N\N(C)C)c1c(F)cccc1F
InChIInChI=1S/C10H12F2N2/c1-7(13-14(2)3)10-8(11)5-4-6-9(10)12/h4-6H,1-3H3/b13-7+
InChIKeyYMOPSJBFWHAETC-NTUHNPAUSA-N
XLogP2.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine (CID 59962068) is N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine is C/C(=N\N(C)C)c1c(F)cccc1F.
What is the InChIKey of N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine?
The InChIKey is YMOPSJBFWHAETC-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-7(13-14(2)3)10-8(11)5-4-6-9(10)12/h4-6H,1-3H3/b13-7+.
What are the key properties of N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine?
N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine has a molecular weight of 198.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 59962068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).