2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride

C21H29ClN2 — CID 24747590

IUPAC2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride
SMILESCC(C)Cc1ccc(C(C)/C(N)=N/CCc2ccccc2)cc1.Cl
InChIInChI=1S/C21H28N2.ClH/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(22)23-14-13-18-7-5-4-6-8-18;/h4-12,16-17H,13-15H2,1-3H3,(H2,22,23);1H
InChIKeyNKXDSRFJBNUTOZ-UHFFFAOYSA-N
MW344.93 g/mol
LogP5.01
Rot. Bonds7

About 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride

2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride (PubChem CID 24747590) has the molecular formula C21H29ClN2 and a molecular weight of 344.93 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride
PubChem CID24747590
Molecular FormulaC21H29ClN2
Molecular Weight344.93 g/mol
Exact Mass344.20
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride
SMILESCC(C)Cc1ccc(C(C)/C(N)=N/CCc2ccccc2)cc1.Cl
InChIInChI=1S/C21H28N2.ClH/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(22)23-14-13-18-7-5-4-6-8-18;/h4-12,16-17H,13-15H2,1-3H3,(H2,22,23);1H
InChIKeyNKXDSRFJBNUTOZ-UHFFFAOYSA-N
XLogP5.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.93
LogP ≤ 55.01
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 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride (CID 24747590) is 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride is CC(C)Cc1ccc(C(C)/C(N)=N/CCc2ccccc2)cc1.Cl.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride?
The InChIKey is NKXDSRFJBNUTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2.ClH/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(22)23-14-13-18-7-5-4-6-8-18;/h4-12,16-17H,13-15H2,1-3H3,(H2,22,23);1H.
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride?
2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide;hydrochloride is sourced from PubChem (CID 24747590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).