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

C16H17N — CID 12824366

IUPACN-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESCN(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N/c1-17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-13H,14H2,1H3/b11-8+
InChIKeyFYMQJTGNKFOYTD-DHZHZOJOSA-N
MW223.32 g/mol
LogP3.84
Rot. Bonds4

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

N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline (PubChem CID 12824366) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
PubChem CID12824366
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESCN(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N/c1-17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-13H,14H2,1H3/b11-8+
InChIKeyFYMQJTGNKFOYTD-DHZHZOJOSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The IUPAC name of N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline (CID 12824366) is N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline.
What is the SMILES notation for N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The canonical SMILES for N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline is CN(C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The InChIKey is FYMQJTGNKFOYTD-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H17N/c1-17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-13H,14H2,1H3/b11-8+.
What are the key properties of N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline has a molecular weight of 223.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-3-phenylprop-2-enyl]aniline is sourced from PubChem (CID 12824366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).