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

C18H18ClNO — CID 127052107

IUPAC(E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride
SMILESC(=C/c1ccccc1)\CNCc1cccc2ccoc12.Cl
InChIInChI=1S/C18H17NO.ClH/c1-2-6-15(7-3-1)8-5-12-19-14-17-10-4-9-16-11-13-20-18(16)17;/h1-11,13,19H,12,14H2;1H/b8-5+;
InChIKeyGUOQXANEDSGVKD-HAAWTFQLSA-N
MW299.80 g/mol
LogP4.66
Rot. Bonds5

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

(E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 127052107) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID127052107
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name(E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride
SMILESC(=C/c1ccccc1)\CNCc1cccc2ccoc12.Cl
InChIInChI=1S/C18H17NO.ClH/c1-2-6-15(7-3-1)8-5-12-19-14-17-10-4-9-16-11-13-20-18(16)17;/h1-11,13,19H,12,14H2;1H/b8-5+;
InChIKeyGUOQXANEDSGVKD-HAAWTFQLSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride (CID 127052107) is (E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride is C(=C/c1ccccc1)\CNCc1cccc2ccoc12.Cl.
What is the InChIKey of (E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is GUOQXANEDSGVKD-HAAWTFQLSA-N. The full InChI is InChI=1S/C18H17NO.ClH/c1-2-6-15(7-3-1)8-5-12-19-14-17-10-4-9-16-11-13-20-18(16)17;/h1-11,13,19H,12,14H2;1H/b8-5+;.
What are the key properties of (E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-N-(1-benzofuran-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 4.66, 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-7-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 127052107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).