N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline

C19H19NO — CID 44548007

IUPACN,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline
SMILESCc1ccc2oc(/C=C/c3ccc(N(C)C)cc3)cc2c1
InChIInChI=1S/C19H19NO/c1-14-4-11-19-16(12-14)13-18(21-19)10-7-15-5-8-17(9-6-15)20(2)3/h4-13H,1-3H3/b10-7+
InChIKeyJAVGSSSWPMQNPF-JXMROGBWSA-N
MW277.37 g/mol
LogP4.98
Rot. Bonds3

About N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline

N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline (PubChem CID 44548007) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline
PubChem CID44548007
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline
SMILESCc1ccc2oc(/C=C/c3ccc(N(C)C)cc3)cc2c1
InChIInChI=1S/C19H19NO/c1-14-4-11-19-16(12-14)13-18(21-19)10-7-15-5-8-17(9-6-15)20(2)3/h4-13H,1-3H3/b10-7+
InChIKeyJAVGSSSWPMQNPF-JXMROGBWSA-N
XLogP4.98
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline (CID 44548007) is N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline is Cc1ccc2oc(/C=C/c3ccc(N(C)C)cc3)cc2c1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline?
The InChIKey is JAVGSSSWPMQNPF-JXMROGBWSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-4-11-19-16(12-14)13-18(21-19)10-7-15-5-8-17(9-6-15)20(2)3/h4-13H,1-3H3/b10-7+.
What are the key properties of N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline?
N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-(5-methyl-1-benzofuran-2-yl)ethenyl]aniline is sourced from PubChem (CID 44548007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).