N-benzyl-1-methoxypropan-2-imine

C11H15NO — CID 71604915

IUPACN-benzyl-1-methoxypropan-2-imine
SMILESCOC/C(C)=N/Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-10(9-13-2)12-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10+
InChIKeyVIPJNKRSYGDVPM-ZRDIBKRKSA-N
MW177.25 g/mol
LogP2.29
Rot. Bonds4

About N-benzyl-1-methoxypropan-2-imine

N-benzyl-1-methoxypropan-2-imine (PubChem CID 71604915) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-benzyl-1-methoxypropan-2-imine.

Molecular Properties

Compound NameN-benzyl-1-methoxypropan-2-imine
PubChem CID71604915
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-benzyl-1-methoxypropan-2-imine
SMILESCOC/C(C)=N/Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-10(9-13-2)12-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10+
InChIKeyVIPJNKRSYGDVPM-ZRDIBKRKSA-N
XLogP2.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.29
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-1-methoxypropan-2-imine?
The IUPAC name of N-benzyl-1-methoxypropan-2-imine (CID 71604915) is N-benzyl-1-methoxypropan-2-imine.
What is the SMILES notation for N-benzyl-1-methoxypropan-2-imine?
The canonical SMILES for N-benzyl-1-methoxypropan-2-imine is COC/C(C)=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-methoxypropan-2-imine?
The InChIKey is VIPJNKRSYGDVPM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15NO/c1-10(9-13-2)12-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10+.
What are the key properties of N-benzyl-1-methoxypropan-2-imine?
N-benzyl-1-methoxypropan-2-imine has a molecular weight of 177.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methoxypropan-2-imine is sourced from PubChem (CID 71604915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).