8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H19FN2 — CID 62741066

IUPAC8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(N2C3CCC2CC(N)C3)c(F)c1
InChIInChI=1S/C14H19FN2/c1-9-2-5-14(13(15)6-9)17-11-3-4-12(17)8-10(16)7-11/h2,5-6,10-12H,3-4,7-8,16H2,1H3
InChIKeyOLFOYUKFXSEJNH-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.59
Rot. Bonds1

About 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62741066) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62741066
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(N2C3CCC2CC(N)C3)c(F)c1
InChIInChI=1S/C14H19FN2/c1-9-2-5-14(13(15)6-9)17-11-3-4-12(17)8-10(16)7-11/h2,5-6,10-12H,3-4,7-8,16H2,1H3
InChIKeyOLFOYUKFXSEJNH-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(5-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55105946
8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106618
9-(2-fluoro-4-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712608
4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzonitrile
CID 61235396
8-(4-chloro-2-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741072
8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 78950768
9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713246
8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739948
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106709
8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114016658
8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 107639345

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62741066) is 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1ccc(N2C3CCC2CC(N)C3)c(F)c1.
What is the InChIKey of 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OLFOYUKFXSEJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-9-2-5-14(13(15)6-9)17-11-3-4-12(17)8-10(16)7-11/h2,5-6,10-12H,3-4,7-8,16H2,1H3.
What are the key properties of 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 234.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62741066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).