2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine

C16H22FN — CID 65299135

IUPAC2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)C2CC3CCC2C3)cc(C)c1F
InChIInChI=1S/C16H22FN/c1-9-5-13(6-10(2)15(9)17)16(18)14-8-11-3-4-12(14)7-11/h5-6,11-12,14,16H,3-4,7-8,18H2,1-2H3
InChIKeyJQTKCCPNNMNEGA-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.88
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine

2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine (PubChem CID 65299135) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
PubChem CID65299135
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)C2CC3CCC2C3)cc(C)c1F
InChIInChI=1S/C16H22FN/c1-9-5-13(6-10(2)15(9)17)16(18)14-8-11-3-4-12(14)7-11/h5-6,11-12,14,16H,3-4,7-8,18H2,1-2H3
InChIKeyJQTKCCPNNMNEGA-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
CID 61364735
2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523105
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
CID 113383478
[2-bicyclo[2.2.1]heptanyl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130879
2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
CID 116545069
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 114246839
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 107001276
2-bicyclo[2.2.1]heptanyl-(4-bromo-5-chloro-2-fluorophenyl)methanamine
CID 105398582
2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol
CID 81100258
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine
CID 114246694
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 113383522

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine (CID 65299135) is 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine is Cc1cc(C(N)C2CC3CCC2C3)cc(C)c1F.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine?
The InChIKey is JQTKCCPNNMNEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-9-5-13(6-10(2)15(9)17)16(18)14-8-11-3-4-12(14)7-11/h5-6,11-12,14,16H,3-4,7-8,18H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine?
2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 65299135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).