9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C15H21FN2 — CID 62713246

IUPAC9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccc(N2C3CCCC2CC(N)C3)cc1F
InChIInChI=1S/C15H21FN2/c1-10-5-6-14(9-15(10)16)18-12-3-2-4-13(18)8-11(17)7-12/h5-6,9,11-13H,2-4,7-8,17H2,1H3
InChIKeyIRJJBVUJNNTYFN-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.98
Rot. Bonds1

About 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713246) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713246
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccc(N2C3CCCC2CC(N)C3)cc1F
InChIInChI=1S/C15H21FN2/c1-10-5-6-14(9-15(10)16)18-12-3-2-4-13(18)8-11(17)7-12/h5-6,9,11-13H,2-4,7-8,17H2,1H3
InChIKeyIRJJBVUJNNTYFN-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713246) is 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is Cc1ccc(N2C3CCCC2CC(N)C3)cc1F.
What is the InChIKey of 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is IRJJBVUJNNTYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-10-5-6-14(9-15(10)16)18-12-3-2-4-13(18)8-11(17)7-12/h5-6,9,11-13H,2-4,7-8,17H2,1H3.
What are the key properties of 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 248.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).