(E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine

C19H23NO — CID 783682

IUPAC(E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine
SMILESCCN(C/C=C/c1ccccc1OC)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-3-20(16-17-10-5-4-6-11-17)15-9-13-18-12-7-8-14-19(18)21-2/h4-14H,3,15-16H2,1-2H3/b13-9+
InChIKeyWTYGMIUZWCLWNJ-UKTHLTGXSA-N
MW281.40 g/mol
LogP4.23
Rot. Bonds7

About (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine

(E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine (PubChem CID 783682) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine
PubChem CID783682
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine
SMILESCCN(C/C=C/c1ccccc1OC)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-3-20(16-17-10-5-4-6-11-17)15-9-13-18-12-7-8-14-19(18)21-2/h4-14H,3,15-16H2,1-2H3/b13-9+
InChIKeyWTYGMIUZWCLWNJ-UKTHLTGXSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine (CID 783682) is (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine is CCN(C/C=C/c1ccccc1OC)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is WTYGMIUZWCLWNJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-20(16-17-10-5-4-6-11-17)15-9-13-18-12-7-8-14-19(18)21-2/h4-14H,3,15-16H2,1-2H3/b13-9+.
What are the key properties of (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine?
(E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-ethyl-3-(2-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 783682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).