1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine

C16H22FN — CID 61365737

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C16H22FN/c1-18-16(10-13-4-2-3-5-15(13)17)14-9-11-6-7-12(14)8-11/h2-5,11-12,14,16,18H,6-10H2,1H3
InChIKeyOQOFELDNQQTGAC-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.39
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 61365737) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID61365737
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C16H22FN/c1-18-16(10-13-4-2-3-5-15(13)17)14-9-11-6-7-12(14)8-11/h2-5,11-12,14,16,18H,6-10H2,1H3
InChIKeyOQOFELDNQQTGAC-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine
CID 61365938
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
CID 63017529
2-(2-fluorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179552
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61365937
2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622284
[1-(2-bicyclo[2.2.1]heptanyl)-2-phenylethyl]hydrazine
CID 105266574
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 105090430
[2-(2-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]hydrazine
CID 105234872
1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309017
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050823
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 114192236

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine (CID 61365737) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is OQOFELDNQQTGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-18-16(10-13-4-2-3-5-15(13)17)14-9-11-6-7-12(14)8-11/h2-5,11-12,14,16,18H,6-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 61365737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).