3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline

C16H17NO — CID 23277994

IUPAC3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline
SMILESCOc1cccc(N/C=C(\C)c2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13(14-7-4-3-5-8-14)12-17-15-9-6-10-16(11-15)18-2/h3-12,17H,1-2H3/b13-12+
InChIKeyJZXFYJHKBRYYJF-OUKQBFOZSA-N
MW239.32 g/mol
LogP4.17
Rot. Bonds4

About 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline

3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline (PubChem CID 23277994) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline
PubChem CID23277994
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline
SMILESCOc1cccc(N/C=C(\C)c2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13(14-7-4-3-5-8-14)12-17-15-9-6-10-16(11-15)18-2/h3-12,17H,1-2H3/b13-12+
InChIKeyJZXFYJHKBRYYJF-OUKQBFOZSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline?
The IUPAC name of 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline (CID 23277994) is 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline.
What is the SMILES notation for 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline?
The canonical SMILES for 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline is COc1cccc(N/C=C(\C)c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline?
The InChIKey is JZXFYJHKBRYYJF-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H17NO/c1-13(14-7-4-3-5-8-14)12-17-15-9-6-10-16(11-15)18-2/h3-12,17H,1-2H3/b13-12+.
What are the key properties of 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline?
3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline has a molecular weight of 239.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(E)-2-phenylprop-1-enyl]aniline is sourced from PubChem (CID 23277994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).