ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine

C13H22N2O — CID 144576154

IUPACethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine
SMILESC/C(=N\OCCN)c1cccc(C)c1.CC
InChIInChI=1S/C11H16N2O.C2H6/c1-9-4-3-5-11(8-9)10(2)13-14-7-6-12;1-2/h3-5,8H,6-7,12H2,1-2H3;1-2H3/b13-10+;
InChIKeyLHCOAXAJACDJER-RSGUCCNWSA-N
MW222.33 g/mol
LogP2.72
Rot. Bonds4

About ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine

ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine (PubChem CID 144576154) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine.

Molecular Properties

Compound Nameethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine
PubChem CID144576154
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine
SMILESC/C(=N\OCCN)c1cccc(C)c1.CC
InChIInChI=1S/C11H16N2O.C2H6/c1-9-4-3-5-11(8-9)10(2)13-14-7-6-12;1-2/h3-5,8H,6-7,12H2,1-2H3;1-2H3/b13-10+;
InChIKeyLHCOAXAJACDJER-RSGUCCNWSA-N
XLogP2.72
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-but-2-enoxy-1-(3-methylphenyl)ethanimine
CID 173323571
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
(E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine
CID 88566977
methyl N-methoxycarbonyl-N-[2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667648
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
4-(3-methylphenyl)pent-3-en-1-amine
CID 76996989
1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine
CID 13143516
N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide
CID 114243695
[[1-(3-methylphenyl)-3-oxobutylidene]amino] sulfite
CID 57238380
(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
CID 20782602
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine?
The IUPAC name of ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine (CID 144576154) is ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine.
What is the SMILES notation for ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine?
The canonical SMILES for ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine is C/C(=N\OCCN)c1cccc(C)c1.CC.
What is the InChIKey of ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine?
The InChIKey is LHCOAXAJACDJER-RSGUCCNWSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-9-4-3-5-11(8-9)10(2)13-14-7-6-12;1-2/h3-5,8H,6-7,12H2,1-2H3;1-2H3/b13-10+;.
What are the key properties of ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine?
ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine is sourced from PubChem (CID 144576154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).