N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

C21H23ClN2O — CID 46881620

IUPACN-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOC(c1ccccc1)c1ccccc1Cl)C2
InChIInChI=1S/C21H23ClN2O/c1-24-17-11-12-18(24)14-16(13-17)23-25-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,17-18,21H,11-14H2,1H3
InChIKeyXHZOJUVBFLNUDN-UHFFFAOYSA-N
MW354.88 g/mol
LogP5.06
Rot. Bonds4

About N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 46881620) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID46881620
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOC(c1ccccc1)c1ccccc1Cl)C2
InChIInChI=1S/C21H23ClN2O/c1-24-17-11-12-18(24)14-16(13-17)23-25-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,17-18,21H,11-14H2,1H3
InChIKeyXHZOJUVBFLNUDN-UHFFFAOYSA-N
XLogP5.06
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 55.06
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-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (CID 46881620) is N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is CN1C2CCC1CC(=NOC(c1ccccc1)c1ccccc1Cl)C2.
What is the InChIKey of N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is XHZOJUVBFLNUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-24-17-11-12-18(24)14-16(13-17)23-25-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,17-18,21H,11-14H2,1H3.
What are the key properties of N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 354.88 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 46881620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).