N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine

C13H20N2O — CID 45093850

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
SMILESCCOc1ccc(/C=N\NC(C)(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-5-16-12-8-6-11(7-9-12)10-14-15-13(2,3)4/h6-10,15H,5H2,1-4H3/b14-10-
InChIKeyCRCYBJFGTRYDQF-UVTDQMKNSA-N
MW220.32 g/mol
LogP2.81
Rot. Bonds4

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine (PubChem CID 45093850) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
PubChem CID45093850
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
SMILESCCOc1ccc(/C=N\NC(C)(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-5-16-12-8-6-11(7-9-12)10-14-15-13(2,3)4/h6-10,15H,5H2,1-4H3/b14-10-
InChIKeyCRCYBJFGTRYDQF-UVTDQMKNSA-N
XLogP2.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.81
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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Related Compounds

N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
1-(2,6-dichlorophenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]methanamine
CID 19059891
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
CID 21212730
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 157053375
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280148
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517753
2-cyano-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 2806400

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine (CID 45093850) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine is CCOc1ccc(/C=N\NC(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine?
The InChIKey is CRCYBJFGTRYDQF-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-16-12-8-6-11(7-9-12)10-14-15-13(2,3)4/h6-10,15H,5H2,1-4H3/b14-10-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine is sourced from PubChem (CID 45093850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).