1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine

C18H25FN2O — CID 91037773

IUPAC1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
SMILESCCC(NOC)=C1[C@H](c2ccc(F)cc2)CC2CC[C@@H]1N2C
InChIInChI=1S/C18H25FN2O/c1-4-16(20-22-3)18-15(12-5-7-13(19)8-6-12)11-14-9-10-17(18)21(14)2/h5-8,14-15,17,20H,4,9-11H2,1-3H3/t14?,15-,17-/m0/s1
InChIKeyCDSZDADJEMJPDM-ZWBSKUQPSA-N
MW304.41 g/mol
LogP3.59
Rot. Bonds4

About 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine

1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine (PubChem CID 91037773) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine.

Molecular Properties

Compound Name1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
PubChem CID91037773
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
SMILESCCC(NOC)=C1[C@H](c2ccc(F)cc2)CC2CC[C@@H]1N2C
InChIInChI=1S/C18H25FN2O/c1-4-16(20-22-3)18-15(12-5-7-13(19)8-6-12)11-14-9-10-17(18)21(14)2/h5-8,14-15,17,20H,4,9-11H2,1-3H3/t14?,15-,17-/m0/s1
InChIKeyCDSZDADJEMJPDM-ZWBSKUQPSA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine 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

(R)-7-Fluoro-3-(4-fluoro-phenyl)-8-methyl-2-propyl-8-aza-bicyclo[3.2.1]octane
CID 44281318
(S)-7-Fluoro-3-(4-fluoro-phenyl)-8-methyl-2-propyl-8-aza-bicyclo[3.2.1]octane
CID 44281515
(2R,3R,5R)-3-(4-Fluoro-phenyl)-8-methyl-2-propyl-8-aza-bicyclo[3.2.1]octane
CID 44364327
(2S,5R)-3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 46878144
7-Fluoro-3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 49823706
3beta-(4-Fluorophenyl) tropane
CID 129712066
(2S,3S,7S)-2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 10039085
(1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 10491670
(1R,2S,3R,5S)-3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 10563382
3-(4-Fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 18318023
2-Butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 18318026
3-(4-Fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 53687688

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine?
The IUPAC name of 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine (CID 91037773) is 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine.
What is the SMILES notation for 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine?
The canonical SMILES for 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine is CCC(NOC)=C1[C@H](c2ccc(F)cc2)CC2CC[C@@H]1N2C.
What is the InChIKey of 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine?
The InChIKey is CDSZDADJEMJPDM-ZWBSKUQPSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-4-16(20-22-3)18-15(12-5-7-13(19)8-6-12)11-14-9-10-17(18)21(14)2/h5-8,14-15,17,20H,4,9-11H2,1-3H3/t14?,15-,17-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine?
1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine has a molecular weight of 304.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine is sourced from PubChem (CID 91037773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).