(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine

C21H23ClN2O2 — CID 71652832

IUPAC(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine
SMILESClc1cccc(COc2ccccc2/C=N/OC2CN3CCC2CC3)c1
InChIInChI=1S/C21H23ClN2O2/c22-19-6-3-4-16(12-19)15-25-20-7-2-1-5-18(20)13-23-26-21-14-24-10-8-17(21)9-11-24/h1-7,12-13,17,21H,8-11,14-15H2/b23-13+
InChIKeyHHYJUOPTTLJVAW-YDZHTSKRSA-N
MW370.88 g/mol
LogP4.36
Rot. Bonds6

About (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine

(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine (PubChem CID 71652832) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine
PubChem CID71652832
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine
SMILESClc1cccc(COc2ccccc2/C=N/OC2CN3CCC2CC3)c1
InChIInChI=1S/C21H23ClN2O2/c22-19-6-3-4-16(12-19)15-25-20-7-2-1-5-18(20)13-23-26-21-14-24-10-8-17(21)9-11-24/h1-7,12-13,17,21H,8-11,14-15H2/b23-13+
InChIKeyHHYJUOPTTLJVAW-YDZHTSKRSA-N
XLogP4.36
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-fluorophenyl)methoxy]phenyl]methanimine
CID 78138881
(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine
CID 71653129
(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]methanimine
CID 71652988
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine
CID 110339528
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110339527
[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815
4-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110339532
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
(1S,2R,6R,7S,8R,10S)-4-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 126099124
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3668306
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-[(3-chlorophenyl)methoxy]benzamide
CID 19742826
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine?
The IUPAC name of (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine (CID 71652832) is (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine is Clc1cccc(COc2ccccc2/C=N/OC2CN3CCC2CC3)c1.
What is the InChIKey of (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine?
The InChIKey is HHYJUOPTTLJVAW-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-19-6-3-4-16(12-19)15-25-20-7-2-1-5-18(20)13-23-26-21-14-24-10-8-17(21)9-11-24/h1-7,12-13,17,21H,8-11,14-15H2/b23-13+.
What are the key properties of (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine?
(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine has a molecular weight of 370.88 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 71652832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).