2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine

C18H22FNO — CID 105046040

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H22FNO/c1-20-16(9-13-7-11-2-3-12(13)6-11)18-10-14-8-15(19)4-5-17(14)21-18/h4-5,8,10-13,16,20H,2-3,6-7,9H2,1H3
InChIKeyCRWWAQVNFNLXQC-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.66
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 105046040) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID105046040
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H22FNO/c1-20-16(9-13-7-11-2-3-12(13)6-11)18-10-14-8-15(19)4-5-17(14)21-18/h4-5,8,10-13,16,20H,2-3,6-7,9H2,1H3
InChIKeyCRWWAQVNFNLXQC-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine with MolForge

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 114730770
2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 105047407
[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105338486
3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 105046030
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79559314
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215533
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197828
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 43480253
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)-N-methylethanamine
CID 105012745
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105167864
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine (CID 105046040) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine is CNC(CC1CC2CCC1C2)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is CRWWAQVNFNLXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-20-16(9-13-7-11-2-3-12(13)6-11)18-10-14-8-15(19)4-5-17(14)21-18/h4-5,8,10-13,16,20H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 105046040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).