N-phenylmethoxypropan-2-imine

C10H13NO — CID 18803

IUPACN-phenylmethoxypropan-2-imine
SMILESCC(C)=NOCc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(2)11-12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyIGLNBLSWLLNOLF-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.60
Rot. Bonds3

About N-phenylmethoxypropan-2-imine

N-phenylmethoxypropan-2-imine (PubChem CID 18803) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-phenylmethoxypropan-2-imine.

Molecular Properties

Compound NameN-phenylmethoxypropan-2-imine
PubChem CID18803
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-phenylmethoxypropan-2-imine
SMILESCC(C)=NOCc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(2)11-12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyIGLNBLSWLLNOLF-UHFFFAOYSA-N
XLogP2.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxypropan-2-imine?
The IUPAC name of N-phenylmethoxypropan-2-imine (CID 18803) is N-phenylmethoxypropan-2-imine.
What is the SMILES notation for N-phenylmethoxypropan-2-imine?
The canonical SMILES for N-phenylmethoxypropan-2-imine is CC(C)=NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxypropan-2-imine?
The InChIKey is IGLNBLSWLLNOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-9(2)11-12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-phenylmethoxypropan-2-imine?
N-phenylmethoxypropan-2-imine has a molecular weight of 163.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxypropan-2-imine is sourced from PubChem (CID 18803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).