8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C15H21FN2 — CID 62813641

IUPAC8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(F)c(C)c1
InChIInChI=1S/C15H21FN2/c1-10-7-12(5-6-15(10)16)18-13-3-4-14(18)9-11(8-13)17-2/h5-7,11,13-14,17H,3-4,8-9H2,1-2H3
InChIKeyCNKAKVQYWYFDSW-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.85
Rot. Bonds2

About 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62813641) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62813641
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(F)c(C)c1
InChIInChI=1S/C15H21FN2/c1-10-7-12(5-6-15(10)16)18-13-3-4-14(18)9-11(8-13)17-2/h5-7,11,13-14,17H,3-4,8-9H2,1-2H3
InChIKeyCNKAKVQYWYFDSW-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739961
8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106091
8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738935
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713614
N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62812956
8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107370685
8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740880
8-(4-fluoro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738566
8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739478
8-(4-chloro-2-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741072
8-(4-bromophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739801
8-(4-chloro-3-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106769

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62813641) is 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2c1ccc(F)c(C)c1.
What is the InChIKey of 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CNKAKVQYWYFDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-10-7-12(5-6-15(10)16)18-13-3-4-14(18)9-11(8-13)17-2/h5-7,11,13-14,17H,3-4,8-9H2,1-2H3.
What are the key properties of 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 248.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62813641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).