2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine

C16H25NOS — CID 105012929

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1sccc1OC
InChIInChI=1S/C16H25NOS/c1-3-17-14(16-15(18-2)6-7-19-16)10-13-9-11-4-5-12(13)8-11/h6-7,11-14,17H,3-5,8-10H2,1-2H3
InChIKeyFLCGVHSSIDGPRS-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.23
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine (PubChem CID 105012929) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
PubChem CID105012929
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1sccc1OC
InChIInChI=1S/C16H25NOS/c1-3-17-14(16-15(18-2)6-7-19-16)10-13-9-11-4-5-12(13)8-11/h6-7,11-14,17H,3-5,8-10H2,1-2H3
InChIKeyFLCGVHSSIDGPRS-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 115847088
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethylthiophen-2-yl)ethyl]hydrazine
CID 105323494
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 105167818
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105012701
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)-N-methylethanamine
CID 105012745
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine
CID 43480990
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302763
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 79561636
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3,5-dimethylphenyl)-N-ethylethanamine
CID 114330715
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81119392

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine (CID 105012929) is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine is CCNC(CC1CC2CCC1C2)c1sccc1OC.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
The InChIKey is FLCGVHSSIDGPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-17-14(16-15(18-2)6-7-19-16)10-13-9-11-4-5-12(13)8-11/h6-7,11-14,17H,3-5,8-10H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine has a molecular weight of 279.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 105012929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).