1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine

C18H23FN2O — CID 91452686

IUPAC1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine
SMILESCC=C(NOC)C1=C(c2ccc(F)cc2)CC2CC[C@H]1N2C
InChIInChI=1S/C18H23FN2O/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/h4-8,14,17,20H,9-11H2,1-3H3/t14?,17-/m1/s1
InChIKeyFGABCSCUDDFASQ-FBMWCMRBSA-N
MW302.39 g/mol
LogP3.50
Rot. Bonds4

About 1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine

1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine (PubChem CID 91452686) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine.

Molecular Properties

Compound Name1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine
PubChem CID91452686
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine
SMILESCC=C(NOC)C1=C(c2ccc(F)cc2)CC2CC[C@H]1N2C
InChIInChI=1S/C18H23FN2O/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/h4-8,14,17,20H,9-11H2,1-3H3/t14?,17-/m1/s1
InChIKeyFGABCSCUDDFASQ-FBMWCMRBSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-3-(dimethylamino)-2-methylpropoxy]-6-[(4-fluorophenyl)methylidene]-2-methylcyclohexen-1-amine
CID 57142195
1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine
CID 87680393
1-[(1S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine
CID 87682041
1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine
CID 87682506
(4Z,6Z)-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-5,15-dimethyl-8-methylidene-9,15-diazatricyclo[10.2.1.02,10]pentadeca-2(10),4,6-triene
CID 89828419
(4E,6Z)-5-fluoro-9-[2-(4-fluorophenyl)ethyl]-15-methyl-8-methylidene-9,15-diazatricyclo[10.2.1.02,10]pentadeca-2(10),4,6-triene
CID 89828430
1-[(1S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine
CID 90692888
1-[(1R,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 90963561
1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 91037773
1-[(3R)-3-(4-fluorophenyl)-8-(3-iodoprop-2-enyl)-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 91175656
1-[(1R,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 91304602
1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 91377423

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine?
The IUPAC name of 1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine (CID 91452686) is 1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine.
What is the SMILES notation for 1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine?
The canonical SMILES for 1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine is CC=C(NOC)C1=C(c2ccc(F)cc2)CC2CC[C@H]1N2C.
What is the InChIKey of 1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine?
The InChIKey is FGABCSCUDDFASQ-FBMWCMRBSA-N. The full InChI is InChI=1S/C18H23FN2O/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/h4-8,14,17,20H,9-11H2,1-3H3/t14?,17-/m1/s1.
What are the key properties of 1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine?
1-[(1R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine has a molecular weight of 302.39 g/mol, XLogP of 3.50, 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-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxyprop-1-en-1-amine is sourced from PubChem (CID 91452686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).