8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine

C22H26N2O — CID 46881579

IUPAC8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine
SMILESCc1ccc(C(ON=C2CC3CCC(C2)N3C)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O/c1-16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)25-23-19-14-20-12-13-21(15-19)24(20)2/h3-11,20-22H,12-15H2,1-2H3
InChIKeyJXEMLALXNIGHJH-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.71
Rot. Bonds4

About 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine

8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 46881579) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound Name8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID46881579
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine
SMILESCc1ccc(C(ON=C2CC3CCC(C2)N3C)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O/c1-16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)25-23-19-14-20-12-13-21(15-19)24(20)2/h3-11,20-22H,12-15H2,1-2H3
InChIKeyJXEMLALXNIGHJH-UHFFFAOYSA-N
XLogP4.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine (CID 46881579) is 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine is Cc1ccc(C(ON=C2CC3CCC(C2)N3C)c2ccccc2)cc1.
What is the InChIKey of 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is JXEMLALXNIGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)25-23-19-14-20-12-13-21(15-19)24(20)2/h3-11,20-22H,12-15H2,1-2H3.
What are the key properties of 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine?
8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 334.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 46881579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).