(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride

C19H20ClNO — CID 127049624

IUPAC(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C/C=C/c1ccccc1)Cc1cccc2ccoc12.Cl
InChIInChI=1S/C19H19NO.ClH/c1-20(13-6-9-16-7-3-2-4-8-16)15-18-11-5-10-17-12-14-21-19(17)18;/h2-12,14H,13,15H2,1H3;1H/b9-6+;
InChIKeyGZWXJZTVRJISNG-MLBSPLJJSA-N
MW313.83 g/mol
LogP5.00
Rot. Bonds5

About (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride

(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 127049624) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID127049624
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C/C=C/c1ccccc1)Cc1cccc2ccoc12.Cl
InChIInChI=1S/C19H19NO.ClH/c1-20(13-6-9-16-7-3-2-4-8-16)15-18-11-5-10-17-12-14-21-19(17)18;/h2-12,14H,13,15H2,1H3;1H/b9-6+;
InChIKeyGZWXJZTVRJISNG-MLBSPLJJSA-N
XLogP5.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 9928332
(2-Benzofuran-6-yl-ethyl)-((S)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 44313303
(E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid
CID 121269371
(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)(phenyl)methanone
CID 9858858
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone
CID 9884652
A-431404
CID 9906447
(4-Fluoro-3-methyl-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-methanone
CID 9925337
(3-fluorophenyl)(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 9946461
(4-methoxyphenyl)(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 10109322
cyclopropyl[4-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanone
CID 10109898
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-p-tolyl-methanone
CID 10132440
cyclopropyl[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanone
CID 10133949

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride (CID 127049624) is (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride is CN(C/C=C/c1ccccc1)Cc1cccc2ccoc12.Cl.
What is the InChIKey of (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is GZWXJZTVRJISNG-MLBSPLJJSA-N. The full InChI is InChI=1S/C19H19NO.ClH/c1-20(13-6-9-16-7-3-2-4-8-16)15-18-11-5-10-17-12-14-21-19(17)18;/h2-12,14H,13,15H2,1H3;1H/b9-6+;.
What are the key properties of (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 127049624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).