1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine

C15H20FNS — CID 114245897

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C15H20FNS/c16-13-3-1-2-4-15(13)18-9-14(17)12-8-10-5-6-11(12)7-10/h1-4,10-12,14H,5-9,17H2
InChIKeyFQRKRKSQRNZDNA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.68
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine (PubChem CID 114245897) has the molecular formula C15H20FNS and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine
PubChem CID114245897
Molecular FormulaC15H20FNS
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C15H20FNS/c16-13-3-1-2-4-15(13)18-9-14(17)12-8-10-5-6-11(12)7-10/h1-4,10-12,14H,5-9,17H2
InChIKeyFQRKRKSQRNZDNA-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
CID 63017529
1-(2-bicyclo[2.2.1]heptanyl)-2-naphthalen-1-ylethanamine
CID 63528750
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 11919710
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61365737
1-(2-bicyclo[2.2.1]heptanyl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanamine
CID 113383497
4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline
CID 68510516
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
CID 106987792
2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299135
2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 2401090
1-(3,4-dimethylcyclohexyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66053257
(1S)-2-[[4-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 129376732

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine (CID 114245897) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine is NC(CSc1ccccc1F)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine?
The InChIKey is FQRKRKSQRNZDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNS/c16-13-3-1-2-4-15(13)18-9-14(17)12-8-10-5-6-11(12)7-10/h1-4,10-12,14H,5-9,17H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 114245897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).