N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine

C11H14ClFN2 — CID 22713979

IUPACN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine
SMILESCC(C)(C)N/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFN2/c1-11(2,3)15-14-7-8-9(12)5-4-6-10(8)13/h4-7,15H,1-3H3/b14-7+
InChIKeyGSANLGIYTLHROM-VGOFMYFVSA-N
MW228.70 g/mol
LogP3.20
Rot. Bonds2

About N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine

N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine (PubChem CID 22713979) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine
PubChem CID22713979
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine
SMILESCC(C)(C)N/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFN2/c1-11(2,3)15-14-7-8-9(12)5-4-6-10(8)13/h4-7,15H,1-3H3/b14-7+
InChIKeyGSANLGIYTLHROM-VGOFMYFVSA-N
XLogP3.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
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)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine?
The IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine (CID 22713979) is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine?
The canonical SMILES for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine is CC(C)(C)N/N=C/c1c(F)cccc1Cl.
What is the InChIKey of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine?
The InChIKey is GSANLGIYTLHROM-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-11(2,3)15-14-7-8-9(12)5-4-6-10(8)13/h4-7,15H,1-3H3/b14-7+.
What are the key properties of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine?
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine has a molecular weight of 228.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylpropan-2-amine is sourced from PubChem (CID 22713979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).