N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide

C18H22N2 — CID 19099766

IUPACN-[(2-benzylphenyl)methyl]-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-3-18(19)20(2)14-17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,19H,3,13-14H2,1-2H3/b19-18+
InChIKeyYWFCCBGUYBZWJQ-VHEBQXMUSA-N
MW266.39 g/mol
LogP4.10
Rot. Bonds5

About N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide

N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide (PubChem CID 19099766) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide.

Molecular Properties

Compound NameN-[(2-benzylphenyl)methyl]-N-methylpropanimidamide
PubChem CID19099766
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[(2-benzylphenyl)methyl]-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-3-18(19)20(2)14-17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,19H,3,13-14H2,1-2H3/b19-18+
InChIKeyYWFCCBGUYBZWJQ-VHEBQXMUSA-N
XLogP4.10
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.10
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 N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide?
The IUPAC name of N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide (CID 19099766) is N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide.
What is the SMILES notation for N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide?
The canonical SMILES for N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide is [H]/N=C(\CC)N(C)Cc1ccccc1Cc1ccccc1.
What is the InChIKey of N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide?
The InChIKey is YWFCCBGUYBZWJQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-18(19)20(2)14-17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,19H,3,13-14H2,1-2H3/b19-18+.
What are the key properties of N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide?
N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide has a molecular weight of 266.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide is sourced from PubChem (CID 19099766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).