N-(1,1-diphenylethoxy)methanimine

C15H15NO — CID 175230176

IUPACN-(1,1-diphenylethoxy)methanimine
SMILESC=NOC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO/c1-15(17-16-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyPHHXMIJBZDWYLK-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.58
Rot. Bonds4

About N-(1,1-diphenylethoxy)methanimine

N-(1,1-diphenylethoxy)methanimine (PubChem CID 175230176) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1,1-diphenylethoxy)methanimine.

Molecular Properties

Compound NameN-(1,1-diphenylethoxy)methanimine
PubChem CID175230176
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN-(1,1-diphenylethoxy)methanimine
SMILESC=NOC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO/c1-15(17-16-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyPHHXMIJBZDWYLK-UHFFFAOYSA-N
XLogP3.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.58
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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Related Compounds

1,4-bis(1-ethenoxy-1-phenylethyl)benzene
CID 22935837
tert-butylbenzene;methanimine
CID 174908280
CID 177002326
CID 177002326
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1-(1,1-diphenylethoxy)ethanamine
CID 66761557
1,1-diphenylethyl carbamate
CID 20976713
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(1-bromo-1-phenylethyl)benzene
CID 19019197
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethoxy)methanimine?
The IUPAC name of N-(1,1-diphenylethoxy)methanimine (CID 175230176) is N-(1,1-diphenylethoxy)methanimine.
What is the SMILES notation for N-(1,1-diphenylethoxy)methanimine?
The canonical SMILES for N-(1,1-diphenylethoxy)methanimine is C=NOC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,1-diphenylethoxy)methanimine?
The InChIKey is PHHXMIJBZDWYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-15(17-16-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of N-(1,1-diphenylethoxy)methanimine?
N-(1,1-diphenylethoxy)methanimine has a molecular weight of 225.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethoxy)methanimine is sourced from PubChem (CID 175230176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).