(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride

C19H20ClNO — CID 127048961

IUPAC(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C/C=C/c1ccccc1)Cc1cccc2occc12.Cl
InChIInChI=1S/C19H19NO.ClH/c1-20(13-6-9-16-7-3-2-4-8-16)15-17-10-5-11-19-18(17)12-14-21-19;/h2-12,14H,13,15H2,1H3;1H/b9-6+;
InChIKeyRULRSQBJAJOHFG-MLBSPLJJSA-N
MW313.83 g/mol
LogP5.00
Rot. Bonds5

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

(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 127048961) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID127048961
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C/C=C/c1ccccc1)Cc1cccc2occc12.Cl
InChIInChI=1S/C19H19NO.ClH/c1-20(13-6-9-16-7-3-2-4-8-16)15-17-10-5-11-19-18(17)12-14-21-19;/h2-12,14H,13,15H2,1H3;1H/b9-6+;
InChIKeyRULRSQBJAJOHFG-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

hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-fluorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 127048629
3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
CID 54202558
(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
CID 134559949
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene
CID 142355183
methyl 4-[(E)-3-[1-benzofuran-3-ylmethyl(methyl)amino]prop-1-enyl]benzoate
CID 134559937
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 127048975
(E)-N-(1-benzofuran-7-ylmethyl)-N-methylbut-2-en-1-amine;hydrochloride
CID 127050911
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
CID 14697965
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride (CID 127048961) is (E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride is CN(C/C=C/c1ccccc1)Cc1cccc2occc12.Cl.
What is the InChIKey of (E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is RULRSQBJAJOHFG-MLBSPLJJSA-N. The full InChI is InChI=1S/C19H19NO.ClH/c1-20(13-6-9-16-7-3-2-4-8-16)15-17-10-5-11-19-18(17)12-14-21-19;/h2-12,14H,13,15H2,1H3;1H/b9-6+;.
What are the key properties of (E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-N-(1-benzofuran-4-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-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 127048961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).