[2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine

C13H17FN2 — CID 105475990

IUPAC[2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine
SMILESNCC1C2CCC(C2)N1c1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c14-10-2-5-11(6-3-10)16-12-4-1-9(7-12)13(16)8-15/h2-3,5-6,9,12-13H,1,4,7-8,15H2
InChIKeyWWGXAYMUWAYBCO-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.14
Rot. Bonds2

About [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine

[2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine (PubChem CID 105475990) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine
PubChem CID105475990
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name[2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine
SMILESNCC1C2CCC(C2)N1c1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c14-10-2-5-11(6-3-10)16-12-4-1-9(7-12)13(16)8-15/h2-3,5-6,9,12-13H,1,4,7-8,15H2
InChIKeyWWGXAYMUWAYBCO-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 105495958
8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739948
[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine
CID 117050521
[2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine
CID 105459012
4-(4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 5094599
[4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine
CID 117050635
(1R,5S)-8-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 11492147
(1S,3S,4S)-2-ethylsulfonyl-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptane
CID 124895876
(1R,3S,4R)-2-ethylsulfonyl-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptane
CID 98057319
2-(4-methylphenyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 105489542
cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 98057482
[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462010

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine?
The IUPAC name of [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine (CID 105475990) is [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine.
What is the SMILES notation for [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine?
The canonical SMILES for [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine is NCC1C2CCC(C2)N1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine?
The InChIKey is WWGXAYMUWAYBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-10-2-5-11(6-3-10)16-12-4-1-9(7-12)13(16)8-15/h2-3,5-6,9,12-13H,1,4,7-8,15H2.
What are the key properties of [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine?
[2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine has a molecular weight of 220.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine is sourced from PubChem (CID 105475990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).