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

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

9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55119473
8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62741010
8-(4-chloro-3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740562
9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714139
8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739948
9-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 66475285
9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63180563
8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61236109
9-(3-bromo-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55203287
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713614
9-(4-chloro-3-fluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55106219
8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62741066

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).