2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol

C23H29NO2 — CID 67531962

IUPAC2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol
SMILESCC(N)(CO)c1ccc2cc(OC3C4CC5CC(C4)CC3C5)ccc2c1
InChIInChI=1S/C23H29NO2/c1-23(24,13-25)20-4-2-17-12-21(5-3-16(17)11-20)26-22-18-7-14-6-15(9-18)10-19(22)8-14/h2-5,11-12,14-15,18-19,22,25H,6-10,13,24H2,1H3
InChIKeyTWOIAYLTLDNCRE-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.21
Rot. Bonds4

About 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol

2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol (PubChem CID 67531962) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol.

Molecular Properties

Compound Name2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol
PubChem CID67531962
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol
SMILESCC(N)(CO)c1ccc2cc(OC3C4CC5CC(C4)CC3C5)ccc2c1
InChIInChI=1S/C23H29NO2/c1-23(24,13-25)20-4-2-17-12-21(5-3-16(17)11-20)26-22-18-7-14-6-15(9-18)10-19(22)8-14/h2-5,11-12,14-15,18-19,22,25H,6-10,13,24H2,1H3
InChIKeyTWOIAYLTLDNCRE-UHFFFAOYSA-N
XLogP4.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol?
The IUPAC name of 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol (CID 67531962) is 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol.
What is the SMILES notation for 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol?
The canonical SMILES for 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol is CC(N)(CO)c1ccc2cc(OC3C4CC5CC(C4)CC3C5)ccc2c1.
What is the InChIKey of 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol?
The InChIKey is TWOIAYLTLDNCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-23(24,13-25)20-4-2-17-12-21(5-3-16(17)11-20)26-22-18-7-14-6-15(9-18)10-19(22)8-14/h2-5,11-12,14-15,18-19,22,25H,6-10,13,24H2,1H3.
What are the key properties of 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol?
2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol has a molecular weight of 351.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol is sourced from PubChem (CID 67531962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).