3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine

C12H15FN2 — CID 117194161

IUPAC3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine
SMILESNC1C2CCC(N2)C1c1cccc(F)c1
InChIInChI=1S/C12H15FN2/c13-8-3-1-2-7(6-8)11-9-4-5-10(15-9)12(11)14/h1-3,6,9-12,15H,4-5,14H2
InChIKeyXPXBXWZALBACCB-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.37
Rot. Bonds1

About 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine

3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine (PubChem CID 117194161) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine
PubChem CID117194161
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine
SMILESNC1C2CCC(N2)C1c1cccc(F)c1
InChIInChI=1S/C12H15FN2/c13-8-3-1-2-7(6-8)11-9-4-5-10(15-9)12(11)14/h1-3,6,9-12,15H,4-5,14H2
InChIKeyXPXBXWZALBACCB-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
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CID 102570496
4-amino-5-(3-fluorophenyl)-1,5-dihydroimidazol-2-one
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2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
3-(3-fluorophenyl)pyrrolidin-1-amine
CID 83529953
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
(2R)-2-(3-fluorophenyl)cyclobutan-1-one
CID 129416002
(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858604
(1R,2R,3S)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858605

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine (CID 117194161) is 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine is NC1C2CCC(N2)C1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine?
The InChIKey is XPXBXWZALBACCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-8-3-1-2-7(6-8)11-9-4-5-10(15-9)12(11)14/h1-3,6,9-12,15H,4-5,14H2.
What are the key properties of 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine?
3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine has a molecular weight of 206.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 117194161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).