N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide

C19H17NO2 — CID 1476242

IUPACN-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide
SMILESC/[N+]([O-])=C/c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H17NO2/c1-20(21)13-18-17-10-6-5-9-16(17)11-12-19(18)22-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3/b20-13-
InChIKeyQLDFNOKHFYVIHI-MOSHPQCFSA-N
MW291.35 g/mol
LogP3.98
Rot. Bonds4

About N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide

N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide (PubChem CID 1476242) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide.

Molecular Properties

Compound NameN-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide
PubChem CID1476242
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC NameN-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide
SMILESC/[N+]([O-])=C/c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H17NO2/c1-20(21)13-18-17-10-6-5-9-16(17)11-12-19(18)22-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3/b20-13-
InChIKeyQLDFNOKHFYVIHI-MOSHPQCFSA-N
XLogP3.98
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.98
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide?
The IUPAC name of N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide (CID 1476242) is N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide.
What is the SMILES notation for N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide?
The canonical SMILES for N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide is C/[N+]([O-])=C/c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide?
The InChIKey is QLDFNOKHFYVIHI-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H17NO2/c1-20(21)13-18-17-10-6-5-9-16(17)11-12-19(18)22-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3/b20-13-.
What are the key properties of N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide?
N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide has a molecular weight of 291.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanimine oxide is sourced from PubChem (CID 1476242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).