N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine

C12H14N2O — CID 59951457

IUPACN-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
SMILESC/C(=N\N(C)C)c1cc2ccccc2o1
InChIInChI=1S/C12H14N2O/c1-9(13-14(2)3)12-8-10-6-4-5-7-11(10)15-12/h4-8H,1-3H3/b13-9+
InChIKeyAQDVUHDEJMDNQT-UKTHLTGXSA-N
MW202.26 g/mol
LogP2.72
Rot. Bonds2

About N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine

N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine (PubChem CID 59951457) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
PubChem CID59951457
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
SMILESC/C(=N\N(C)C)c1cc2ccccc2o1
InChIInChI=1S/C12H14N2O/c1-9(13-14(2)3)12-8-10-6-4-5-7-11(10)15-12/h4-8H,1-3H3/b13-9+
InChIKeyAQDVUHDEJMDNQT-UKTHLTGXSA-N
XLogP2.72
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
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,N-dimethyl-1-benzofuran-2-carbothioamide
CID 119087189
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
CID 3593438
methyl (NE)-N'-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-N-(dimethylaminomethylidene)carbamimidothioate
CID 20849739
methyl N'-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-N-(dimethylaminomethylidene)carbamimidothioate
CID 97295486
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013735
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 139086407
2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran
CID 134858852
(Z)-4-(1-benzofuran-2-yl)pent-3-en-2-ol
CID 103971192
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
CID 6149535

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine (CID 59951457) is N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine is C/C(=N\N(C)C)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine?
The InChIKey is AQDVUHDEJMDNQT-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(13-14(2)3)12-8-10-6-4-5-7-11(10)15-12/h4-8H,1-3H3/b13-9+.
What are the key properties of N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine?
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine has a molecular weight of 202.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 59951457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).