N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine

C13H20N2O2 — CID 110507423

IUPACN-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCCOc1ccc(/C=N/N(C)C)c(OCC)c1
InChIInChI=1S/C13H20N2O2/c1-5-16-12-8-7-11(10-14-15(3)4)13(9-12)17-6-2/h7-10H,5-6H2,1-4H3/b14-10+
InChIKeyNDRFTVGUWQEBJG-GXDHUFHOSA-N
MW236.31 g/mol
LogP2.38
Rot. Bonds6

About N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine

N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine (PubChem CID 110507423) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine
PubChem CID110507423
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCCOc1ccc(/C=N/N(C)C)c(OCC)c1
InChIInChI=1S/C13H20N2O2/c1-5-16-12-8-7-11(10-14-15(3)4)13(9-12)17-6-2/h7-10H,5-6H2,1-4H3/b14-10+
InChIKeyNDRFTVGUWQEBJG-GXDHUFHOSA-N
XLogP2.38
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
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-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 600803
N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3695532
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507382
3-[(2,4-diethoxyphenyl)methylideneamino]benzoic acid
CID 23991610
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507418
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 8899053
N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide
CID 24818496
1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea
CID 110508571
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
4-amino-N'-[(2,4-diethoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 3124553

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine (CID 110507423) is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine is CCOc1ccc(/C=N/N(C)C)c(OCC)c1.
What is the InChIKey of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine?
The InChIKey is NDRFTVGUWQEBJG-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-16-12-8-7-11(10-14-15(3)4)13(9-12)17-6-2/h7-10H,5-6H2,1-4H3/b14-10+.
What are the key properties of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine?
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine has a molecular weight of 236.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110507423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).