N-benzyl-1-(4-methoxyphenyl)ethanimine oxide

C16H17NO2 — CID 10377662

IUPACN-benzyl-1-(4-methoxyphenyl)ethanimine oxide
SMILESCOc1ccc(/C(C)=[N+](\[O-])Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-13(15-8-10-16(19-2)11-9-15)17(18)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/b17-13-
InChIKeyPZKFMRLMAOIJEY-LGMDPLHJSA-N
MW255.32 g/mol
LogP3.21
Rot. Bonds4

About N-benzyl-1-(4-methoxyphenyl)ethanimine oxide

N-benzyl-1-(4-methoxyphenyl)ethanimine oxide (PubChem CID 10377662) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-benzyl-1-(4-methoxyphenyl)ethanimine oxide.

Molecular Properties

Compound NameN-benzyl-1-(4-methoxyphenyl)ethanimine oxide
PubChem CID10377662
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-benzyl-1-(4-methoxyphenyl)ethanimine oxide
SMILESCOc1ccc(/C(C)=[N+](\[O-])Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-13(15-8-10-16(19-2)11-9-15)17(18)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/b17-13-
InChIKeyPZKFMRLMAOIJEY-LGMDPLHJSA-N
XLogP3.21
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.21
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-benzyl-1-(4-methoxyphenyl)ethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine
CID 137318860
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
1-diazo-1-(4-methoxyphenyl)-4-phenylbutan-2-one
CID 159299174
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 12634354
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methoxyphenyl)ethanimine oxide?
The IUPAC name of N-benzyl-1-(4-methoxyphenyl)ethanimine oxide (CID 10377662) is N-benzyl-1-(4-methoxyphenyl)ethanimine oxide.
What is the SMILES notation for N-benzyl-1-(4-methoxyphenyl)ethanimine oxide?
The canonical SMILES for N-benzyl-1-(4-methoxyphenyl)ethanimine oxide is COc1ccc(/C(C)=[N+](\[O-])Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-(4-methoxyphenyl)ethanimine oxide?
The InChIKey is PZKFMRLMAOIJEY-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13(15-8-10-16(19-2)11-9-15)17(18)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/b17-13-.
What are the key properties of N-benzyl-1-(4-methoxyphenyl)ethanimine oxide?
N-benzyl-1-(4-methoxyphenyl)ethanimine oxide has a molecular weight of 255.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methoxyphenyl)ethanimine oxide is sourced from PubChem (CID 10377662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).