N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine

C19H23NO — CID 15727243

IUPACN-benzyl-3-methyl-2-phenylmethoxybutan-1-imine
SMILESCC(C)C(/C=N/Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H23NO/c1-16(2)19(21-15-18-11-7-4-8-12-18)14-20-13-17-9-5-3-6-10-17/h3-12,14,16,19H,13,15H2,1-2H3/b20-14+
InChIKeyGKONFRZBCUXSPJ-XSFVSMFZSA-N
MW281.40 g/mol
LogP4.50
Rot. Bonds7

About N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine

N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine (PubChem CID 15727243) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-phenylmethoxybutan-1-imine
PubChem CID15727243
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-benzyl-3-methyl-2-phenylmethoxybutan-1-imine
SMILESCC(C)C(/C=N/Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H23NO/c1-16(2)19(21-15-18-11-7-4-8-12-18)14-20-13-17-9-5-3-6-10-17/h3-12,14,16,19H,13,15H2,1-2H3/b20-14+
InChIKeyGKONFRZBCUXSPJ-XSFVSMFZSA-N
XLogP4.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine?
The IUPAC name of N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine (CID 15727243) is N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine.
What is the SMILES notation for N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine?
The canonical SMILES for N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine is CC(C)C(/C=N/Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine?
The InChIKey is GKONFRZBCUXSPJ-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23NO/c1-16(2)19(21-15-18-11-7-4-8-12-18)14-20-13-17-9-5-3-6-10-17/h3-12,14,16,19H,13,15H2,1-2H3/b20-14+.
What are the key properties of N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine?
N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine has a molecular weight of 281.40 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-phenylmethoxybutan-1-imine is sourced from PubChem (CID 15727243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).