1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine

C17H21FN2O — CID 87682506

IUPAC1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine
SMILESCCC(=NOC)C1=C(c2ccc(F)cc2)CC2CC[C@H]1N2
InChIInChI=1S/C17H21FN2O/c1-3-15(20-21-2)17-14(10-13-8-9-16(17)19-13)11-4-6-12(18)7-5-11/h4-7,13,16,19H,3,8-10H2,1-2H3/t13?,16-/m1/s1
InChIKeyXAFJMLNODTZTCZ-FQNRMIAFSA-N
MW288.37 g/mol
LogP3.52
Rot. Bonds4

About 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine

1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine (PubChem CID 87682506) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine.

Molecular Properties

Compound Name1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine
PubChem CID87682506
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine
SMILESCCC(=NOC)C1=C(c2ccc(F)cc2)CC2CC[C@H]1N2
InChIInChI=1S/C17H21FN2O/c1-3-15(20-21-2)17-14(10-13-8-9-16(17)19-13)11-4-6-12(18)7-5-11/h4-7,13,16,19H,3,8-10H2,1-2H3/t13?,16-/m1/s1
InChIKeyXAFJMLNODTZTCZ-FQNRMIAFSA-N
XLogP3.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
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'}

Analyze 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine?
The IUPAC name of 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine (CID 87682506) is 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine.
What is the SMILES notation for 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine?
The canonical SMILES for 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine is CCC(=NOC)C1=C(c2ccc(F)cc2)CC2CC[C@H]1N2.
What is the InChIKey of 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine?
The InChIKey is XAFJMLNODTZTCZ-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-3-15(20-21-2)17-14(10-13-8-9-16(17)19-13)11-4-6-12(18)7-5-11/h4-7,13,16,19H,3,8-10H2,1-2H3/t13?,16-/m1/s1.
What are the key properties of 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine?
1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine has a molecular weight of 288.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine is sourced from PubChem (CID 87682506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).