2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine

C18H27NO2 — CID 79562530

IUPAC2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCC1CC2CCC1C2
InChIInChI=1S/C18H27NO2/c1-2-20-17-5-3-4-14(8-9-19)18(17)21-12-16-11-13-6-7-15(16)10-13/h3-5,13,15-16H,2,6-12,19H2,1H3
InChIKeyQEODWBXSBKADSI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.40
Rot. Bonds7

About 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine

2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine (PubChem CID 79562530) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine
PubChem CID79562530
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCC1CC2CCC1C2
InChIInChI=1S/C18H27NO2/c1-2-20-17-5-3-4-14(8-9-19)18(17)21-12-16-11-13-6-7-15(16)10-13/h3-5,13,15-16H,2,6-12,19H2,1H3
InChIKeyQEODWBXSBKADSI-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
CID 112614818
N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 79562030
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904856
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 79559319
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608431
2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol
CID 62734100
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine (CID 79562530) is 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine is CCOc1cccc(CCN)c1OCC1CC2CCC1C2.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine?
The InChIKey is QEODWBXSBKADSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-20-17-5-3-4-14(8-9-19)18(17)21-12-16-11-13-6-7-15(16)10-13/h3-5,13,15-16H,2,6-12,19H2,1H3.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine?
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine is sourced from PubChem (CID 79562530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).