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

C16H17N — CID 102211121

IUPAC2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline
SMILESCc1ccccc1N/C=C/Cc1ccccc1
InChIInChI=1S/C16H17N/c1-14-8-5-6-12-16(14)17-13-7-11-15-9-3-2-4-10-15/h2-10,12-13,17H,11H2,1H3/b13-7+
InChIKeyZEQSEQPJUNAAID-NTUHNPAUSA-N
MW223.32 g/mol
LogP4.16
Rot. Bonds4

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

2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline (PubChem CID 102211121) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline
PubChem CID102211121
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline
SMILESCc1ccccc1N/C=C/Cc1ccccc1
InChIInChI=1S/C16H17N/c1-14-8-5-6-12-16(14)17-13-7-11-15-9-3-2-4-10-15/h2-10,12-13,17H,11H2,1H3/b13-7+
InChIKeyZEQSEQPJUNAAID-NTUHNPAUSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline?
The IUPAC name of 2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline (CID 102211121) is 2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline.
What is the SMILES notation for 2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline?
The canonical SMILES for 2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline is Cc1ccccc1N/C=C/Cc1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline?
The InChIKey is ZEQSEQPJUNAAID-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H17N/c1-14-8-5-6-12-16(14)17-13-7-11-15-9-3-2-4-10-15/h2-10,12-13,17H,11H2,1H3/b13-7+.
What are the key properties of 2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline?
2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline has a molecular weight of 223.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline is sourced from PubChem (CID 102211121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).