N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

C15H19ClN2O — CID 46881757

IUPACN-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOCc1ccc(Cl)cc1)C2
InChIInChI=1S/C15H19ClN2O/c1-18-14-6-7-15(18)9-13(8-14)17-19-10-11-2-4-12(16)5-3-11/h2-5,14-15H,6-10H2,1H3
InChIKeyVXLAZNLWNDDNHO-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.47
Rot. Bonds3

About N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 46881757) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID46881757
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOCc1ccc(Cl)cc1)C2
InChIInChI=1S/C15H19ClN2O/c1-18-14-6-7-15(18)9-13(8-14)17-19-10-11-2-4-12(16)5-3-11/h2-5,14-15H,6-10H2,1H3
InChIKeyVXLAZNLWNDDNHO-UHFFFAOYSA-N
XLogP3.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.47
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 N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (CID 46881757) is N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is CN1C2CCC1CC(=NOCc1ccc(Cl)cc1)C2.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is VXLAZNLWNDDNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18-14-6-7-15(18)9-13(8-14)17-19-10-11-2-4-12(16)5-3-11/h2-5,14-15H,6-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 278.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 46881757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).