(E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride

C17H19ClN2 — CID 69119330

IUPAC(E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
SMILESCc1ccc(C/N=C(N)/C=C/c2ccccc2)cc1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-14-7-9-16(10-8-14)13-19-17(18)12-11-15-5-3-2-4-6-15;/h2-12H,13H2,1H3,(H2,18,19);1H/b12-11+;
InChIKeyDMXGMEQLKHBQFY-CALJPSDSSA-N
MW286.81 g/mol
LogP3.99
Rot. Bonds4

About (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride

(E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride (PubChem CID 69119330) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride.

Molecular Properties

Compound Name(E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
PubChem CID69119330
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name(E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
SMILESCc1ccc(C/N=C(N)/C=C/c2ccccc2)cc1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-14-7-9-16(10-8-14)13-19-17(18)12-11-15-5-3-2-4-6-15;/h2-12H,13H2,1H3,(H2,18,19);1H/b12-11+;
InChIKeyDMXGMEQLKHBQFY-CALJPSDSSA-N
XLogP3.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
The IUPAC name of (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride (CID 69119330) is (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride.
What is the SMILES notation for (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
The canonical SMILES for (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride is Cc1ccc(C/N=C(N)/C=C/c2ccccc2)cc1.Cl.
What is the InChIKey of (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
The InChIKey is DMXGMEQLKHBQFY-CALJPSDSSA-N. The full InChI is InChI=1S/C17H18N2.ClH/c1-14-7-9-16(10-8-14)13-19-17(18)12-11-15-5-3-2-4-6-15;/h2-12H,13H2,1H3,(H2,18,19);1H/b12-11+;.
What are the key properties of (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
(E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(4-methylphenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride is sourced from PubChem (CID 69119330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).