1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol

C20H23NO2 — CID 11843223

IUPAC1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H23NO2/c1-14(2)21-12-17(22)13-23-20-18-9-5-3-7-15(18)11-16-8-4-6-10-19(16)20/h3-11,14,17,21-22H,12-13H2,1-2H3
InChIKeyRQZYSGVSQRAMNN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.73
Rot. Bonds6

About 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol

1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 11843223) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID11843223
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H23NO2/c1-14(2)21-12-17(22)13-23-20-18-9-5-3-7-15(18)11-16-8-4-6-10-19(16)20/h3-11,14,17,21-22H,12-13H2,1-2H3
InChIKeyRQZYSGVSQRAMNN-UHFFFAOYSA-N
XLogP3.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
3-anthracen-9-yloxypropane-1,2-diol
CID 139994732
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 129395847
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 90672310
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 134211273
4-(2-aminoethyl)benzene-1,2-diol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 67675479

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol (CID 11843223) is 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is RQZYSGVSQRAMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(2)21-12-17(22)13-23-20-18-9-5-3-7-15(18)11-16-8-4-6-10-19(16)20/h3-11,14,17,21-22H,12-13H2,1-2H3.
What are the key properties of 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol?
1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 11843223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).