N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline

C18H18N2O — CID 8825966

IUPACN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
SMILESCCc1oc2ccccc2c1/C=N\Nc1ccc(C)cc1
InChIInChI=1S/C18H18N2O/c1-3-17-16(15-6-4-5-7-18(15)21-17)12-19-20-14-10-8-13(2)9-11-14/h4-12,20H,3H2,1-2H3/b19-12-
InChIKeyYJPBGOLSDZQPFJ-UNOMPAQXSA-N
MW278.36 g/mol
LogP4.75
Rot. Bonds4

About N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline

N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline (PubChem CID 8825966) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
PubChem CID8825966
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
SMILESCCc1oc2ccccc2c1/C=N\Nc1ccc(C)cc1
InChIInChI=1S/C18H18N2O/c1-3-17-16(15-6-4-5-7-18(15)21-17)12-19-20-14-10-8-13(2)9-11-14/h4-12,20H,3H2,1-2H3/b19-12-
InChIKeyYJPBGOLSDZQPFJ-UNOMPAQXSA-N
XLogP4.75
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', '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-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 57355898
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
CID 8826088
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-nitroaniline
CID 8825958
2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione
CID 23376129
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide
CID 8825899
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
CID 8825879
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 8826359
N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide
CID 8865346
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline
CID 9059516
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline?
The IUPAC name of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline (CID 8825966) is N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline is CCc1oc2ccccc2c1/C=N\Nc1ccc(C)cc1.
What is the InChIKey of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline?
The InChIKey is YJPBGOLSDZQPFJ-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-17-16(15-6-4-5-7-18(15)21-17)12-19-20-14-10-8-13(2)9-11-14/h4-12,20H,3H2,1-2H3/b19-12-.
What are the key properties of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline?
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline has a molecular weight of 278.36 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 8825966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).