(E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine

C17H19N — CID 5473933

IUPAC(E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19N/c1-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16/h2-13H,14-15H2,1H3/b13-8+
InChIKeyVCFSFBCCSGVCHZ-MDWZMJQESA-N
MW237.35 g/mol
LogP3.83
Rot. Bonds5

About (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine

(E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine (PubChem CID 5473933) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine
PubChem CID5473933
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19N/c1-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16/h2-13H,14-15H2,1H3/b13-8+
InChIKeyVCFSFBCCSGVCHZ-MDWZMJQESA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine (CID 5473933) is (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine is CN(C/C=C/c1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is VCFSFBCCSGVCHZ-MDWZMJQESA-N. The full InChI is InChI=1S/C17H19N/c1-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16/h2-13H,14-15H2,1H3/b13-8+.
What are the key properties of (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine?
(E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 5473933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).