2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine

C13H16FN — CID 165361700

IUPAC2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(c2cccc(F)c2)CC2CCC1C2
InChIInChI=1S/C13H16FN/c14-12-3-1-2-10(7-12)13(15)8-9-4-5-11(13)6-9/h1-3,7,9,11H,4-6,8,15H2
InChIKeyNNYRTBYVEDVBJT-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.80
Rot. Bonds1

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

2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 165361700) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID165361700
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(c2cccc(F)c2)CC2CCC1C2
InChIInChI=1S/C13H16FN/c14-12-3-1-2-10(7-12)13(15)8-9-4-5-11(13)6-9/h1-3,7,9,11H,4-6,8,15H2
InChIKeyNNYRTBYVEDVBJT-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine
CID 165361706
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
[2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol
CID 105458990
1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol
CID 64735546
1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016881
1-(3-fluorophenyl)-3-methylcyclopentan-1-ol
CID 64516449
(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65020172
(2-phenyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 117194213

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine (CID 165361700) is 2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine is NC1(c2cccc(F)c2)CC2CCC1C2.
What is the InChIKey of 2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is NNYRTBYVEDVBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-3-1-2-10(7-12)13(15)8-9-4-5-11(13)6-9/h1-3,7,9,11H,4-6,8,15H2.
What are the key properties of 2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine?
2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 205.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 165361700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).