N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine

C13H20N2O2 — CID 6901787

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
SMILESCOc1ccc(/C=N/NC(C)(C)C)c(OC)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)15-14-9-10-6-7-11(16-4)8-12(10)17-5/h6-9,15H,1-5H3/b14-9+
InChIKeyALDHSIAJRPJRNA-NTEUORMPSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds4

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine (PubChem CID 6901787) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
PubChem CID6901787
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
SMILESCOc1ccc(/C=N/NC(C)(C)C)c(OC)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)15-14-9-10-6-7-11(16-4)8-12(10)17-5/h6-9,15H,1-5H3/b14-9+
InChIKeyALDHSIAJRPJRNA-NTEUORMPSA-N
XLogP2.43
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908544
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 3622824
1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 7728702
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658901

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine (CID 6901787) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine is COc1ccc(/C=N/NC(C)(C)C)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine?
The InChIKey is ALDHSIAJRPJRNA-NTEUORMPSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)15-14-9-10-6-7-11(16-4)8-12(10)17-5/h6-9,15H,1-5H3/b14-9+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine has a molecular weight of 236.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine is sourced from PubChem (CID 6901787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).