(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine

C20H25NO2 — CID 783192

IUPAC(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1ccc(CCN(C)C/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C20H25NO2/c1-21(14-7-10-17-8-5-4-6-9-17)15-13-18-11-12-19(22-2)20(16-18)23-3/h4-12,16H,13-15H2,1-3H3/b10-7+
InChIKeyRTZFYMJDTIHGPH-JXMROGBWSA-N
MW311.43 g/mol
LogP3.89
Rot. Bonds8

About (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine

(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine (PubChem CID 783192) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine
PubChem CID783192
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1ccc(CCN(C)C/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C20H25NO2/c1-21(14-7-10-17-8-5-4-6-9-17)15-13-18-11-12-19(22-2)20(16-18)23-3/h4-12,16H,13-15H2,1-3H3/b10-7+
InChIKeyRTZFYMJDTIHGPH-JXMROGBWSA-N
XLogP3.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine (CID 783192) is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine is COc1ccc(CCN(C)C/C=C/c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is RTZFYMJDTIHGPH-JXMROGBWSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21(14-7-10-17-8-5-4-6-9-17)15-13-18-11-12-19(22-2)20(16-18)23-3/h4-12,16H,13-15H2,1-3H3/b10-7+.
What are the key properties of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine?
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 311.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 783192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).