N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine

C12H16F2N2O — CID 6899158

IUPACN-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine
SMILESCC(C)(C)N/N=C/c1cccc(OC(F)F)c1
InChIInChI=1S/C12H16F2N2O/c1-12(2,3)16-15-8-9-5-4-6-10(7-9)17-11(13)14/h4-8,11,16H,1-3H3/b15-8+
InChIKeyIVEVZOFOBFQDJG-OVCLIPMQSA-N
MW242.27 g/mol
LogP3.01
Rot. Bonds4

About N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine

N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine (PubChem CID 6899158) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine
PubChem CID6899158
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine
SMILESCC(C)(C)N/N=C/c1cccc(OC(F)F)c1
InChIInChI=1S/C12H16F2N2O/c1-12(2,3)16-15-8-9-5-4-6-10(7-9)17-11(13)14/h4-8,11,16H,1-3H3/b15-8+
InChIKeyIVEVZOFOBFQDJG-OVCLIPMQSA-N
XLogP3.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine?
The IUPAC name of N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine (CID 6899158) is N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine?
The canonical SMILES for N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine is CC(C)(C)N/N=C/c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine?
The InChIKey is IVEVZOFOBFQDJG-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-12(2,3)16-15-8-9-5-4-6-10(7-9)17-11(13)14/h4-8,11,16H,1-3H3/b15-8+.
What are the key properties of N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine?
N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine has a molecular weight of 242.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(difluoromethoxy)phenyl]methylideneamino]-2-methylpropan-2-amine is sourced from PubChem (CID 6899158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).