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

C19H19Cl2NO — CID 137658868

IUPAC(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
SMILESCN(C/C=C/C1=CC=C(C=C1)Cl)CC2=COC3=CC=CC=C32.Cl
InChIInChI=1S/C19H18ClNO.ClH/c1-21(12-4-5-15-8-10-17(20)11-9-15)13-16-14-22-19-7-3-2-6-18(16)19;/h2-11,14H,12-13H2,1H3;1H/b5-4+;
InChIKeyMXJMETRNFOIXTQ-FXRZFVDSSA-N
MW348.30 g/mol
LogP—
Rot. Bonds5

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

(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride (PubChem CID 137658868) has the molecular formula C19H19Cl2NO and a molecular weight of 348.30 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
PubChem CID137658868
Molecular FormulaC19H19Cl2NO
Molecular Weight348.30 g/mol
Exact Mass347.08
IUPAC Name(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
SMILESCN(C/C=C/C1=CC=C(C=C1)Cl)CC2=COC3=CC=CC=C32.Cl
InChIInChI=1S/C19H18ClNO.ClH/c1-21(12-4-5-15-8-10-17(20)11-9-15)13-16-14-22-19-7-3-2-6-18(16)19;/h2-11,14H,12-13H2,1H3;1H/b5-4+;
InChIKeyMXJMETRNFOIXTQ-FXRZFVDSSA-N
XLogP—
TPSA16.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity364

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-3-(4-chlorophenyl)-8-[(5-fluoro-1-benzofuran-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 24767784
(1S,5R)-8-(1-benzofuran-3-ylmethyl)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25129111
(1S,5R)-8-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25130157
(1S,5R)-3-(3,4-dichlorophenyl)-8-[(5-fluoro-1-benzofuran-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 25130509
(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 127051177
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-(4-phenylphenyl)prop-2-en-1-amine;hydrochloride
CID 137643139
N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
CID 3781827
N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine
CID 118724298
3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 118724306
(1S,5R)-8-(1-benzofuran-3-ylmethyl)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25130159
1-[(1-Benzofuran-3-yl)methyl]-4-(3,4-dichlorophenyl)piperidin-4-ol
CID 44438233
1-[(1-Benzofuran-3-yl)methyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 44438234

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride (CID 137658868) is (E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride is CN(C/C=C/C1=CC=C(C=C1)Cl)CC2=COC3=CC=CC=C32.Cl.
What is the InChIKey of (E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride?
The InChIKey is MXJMETRNFOIXTQ-FXRZFVDSSA-N. The full InChI is InChI=1S/C19H18ClNO.ClH/c1-21(12-4-5-15-8-10-17(20)11-9-15)13-16-14-22-19-7-3-2-6-18(16)19;/h2-11,14H,12-13H2,1H3;1H/b5-4+;.
What are the key properties of (E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride?
(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride has a molecular weight of 348.30 g/mol, XLogP of not available, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 137658868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).