(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride

C20H22ClNO2 — CID 127050268

IUPAC(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride
SMILESCOc1ccc(/C=C/CN(C)Cc2cccc3ccoc23)cc1.Cl
InChIInChI=1S/C20H21NO2.ClH/c1-21(13-4-5-16-8-10-19(22-2)11-9-16)15-18-7-3-6-17-12-14-23-20(17)18;/h3-12,14H,13,15H2,1-2H3;1H/b5-4+;
InChIKeyOVBBWZNCAHKRCI-FXRZFVDSSA-N
MW343.85 g/mol
LogP5.01
Rot. Bonds6

About (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride

(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride (PubChem CID 127050268) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride
PubChem CID127050268
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride
SMILESCOc1ccc(/C=C/CN(C)Cc2cccc3ccoc23)cc1.Cl
InChIInChI=1S/C20H21NO2.ClH/c1-21(13-4-5-16-8-10-19(22-2)11-9-16)15-18-7-3-6-17-12-14-23-20(17)18;/h3-12,14H,13,15H2,1-2H3;1H/b5-4+;
InChIKeyOVBBWZNCAHKRCI-FXRZFVDSSA-N
XLogP5.01
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.85
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride (CID 127050268) is (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride is COc1ccc(/C=C/CN(C)Cc2cccc3ccoc23)cc1.Cl.
What is the InChIKey of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride?
The InChIKey is OVBBWZNCAHKRCI-FXRZFVDSSA-N. The full InChI is InChI=1S/C20H21NO2.ClH/c1-21(13-4-5-16-8-10-19(22-2)11-9-16)15-18-7-3-6-17-12-14-23-20(17)18;/h3-12,14H,13,15H2,1-2H3;1H/b5-4+;.
What are the key properties of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride?
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 127050268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).