2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol

C21H27NO2 — CID 67530147

IUPAC2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol
SMILESCC(N)(CO)c1ccc2cc(OC34CCC(CC3)CC4)ccc2c1
InChIInChI=1S/C21H27NO2/c1-20(22,14-23)18-4-2-17-13-19(5-3-16(17)12-18)24-21-9-6-15(7-10-21)8-11-21/h2-5,12-13,15,23H,6-11,14,22H2,1H3
InChIKeyYBFHVNFHJYDNOK-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.11
Rot. Bonds4

About 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol

2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol (PubChem CID 67530147) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol
PubChem CID67530147
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol
SMILESCC(N)(CO)c1ccc2cc(OC34CCC(CC3)CC4)ccc2c1
InChIInChI=1S/C21H27NO2/c1-20(22,14-23)18-4-2-17-13-19(5-3-16(17)12-18)24-21-9-6-15(7-10-21)8-11-21/h2-5,12-13,15,23H,6-11,14,22H2,1H3
InChIKeyYBFHVNFHJYDNOK-UHFFFAOYSA-N
XLogP4.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol?
The IUPAC name of 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol (CID 67530147) is 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol is CC(N)(CO)c1ccc2cc(OC34CCC(CC3)CC4)ccc2c1.
What is the InChIKey of 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol?
The InChIKey is YBFHVNFHJYDNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-20(22,14-23)18-4-2-17-13-19(5-3-16(17)12-18)24-21-9-6-15(7-10-21)8-11-21/h2-5,12-13,15,23H,6-11,14,22H2,1H3.
What are the key properties of 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol?
2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol has a molecular weight of 325.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 67530147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).