N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane

C20H30N2O — CID 91230650

IUPACN-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane
SMILESCC.CC.Cc1ccccc1C(=NO)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N2O.2C2H6/c1-12-6-4-5-7-15(12)16(17-19)13-8-10-14(11-9-13)18(2)3;2*1-2/h4-11,19H,1-3H3;2*1-2H3
InChIKeyPFFFBKJUQDYKKD-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.34
Rot. Bonds3

About N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane

N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane (PubChem CID 91230650) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane
PubChem CID91230650
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane
SMILESCC.CC.Cc1ccccc1C(=NO)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N2O.2C2H6/c1-12-6-4-5-7-15(12)16(17-19)13-8-10-14(11-9-13)18(2)3;2*1-2/h4-11,19H,1-3H3;2*1-2H3
InChIKeyPFFFBKJUQDYKKD-UHFFFAOYSA-N
XLogP5.34
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane (CID 91230650) is N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane is CC.CC.Cc1ccccc1C(=NO)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane?
The InChIKey is PFFFBKJUQDYKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.2C2H6/c1-12-6-4-5-7-15(12)16(17-19)13-8-10-14(11-9-13)18(2)3;2*1-2/h4-11,19H,1-3H3;2*1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane?
N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane has a molecular weight of 314.47 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane is sourced from PubChem (CID 91230650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).