1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol

C17H23NO3 — CID 3015023

IUPAC1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1ccc(OCC(O)CNC(C)C)c2ccccc12
InChIInChI=1S/C17H23NO3/c1-12(2)18-10-13(19)11-21-17-9-8-16(20-3)14-6-4-5-7-15(14)17/h4-9,12-13,18-19H,10-11H2,1-3H3
InChIKeyOWXOFAQEGCLAOX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.59
Rot. Bonds7

About 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol

1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 3015023) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID3015023
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1ccc(OCC(O)CNC(C)C)c2ccccc12
InChIInChI=1S/C17H23NO3/c1-12(2)18-10-13(19)11-21-17-9-8-16(20-3)14-6-4-5-7-15(14)17/h4-9,12-13,18-19H,10-11H2,1-3H3
InChIKeyOWXOFAQEGCLAOX-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-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
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
CID 129396178
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
1-(4-amino-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154192524
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454
1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 11843223
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzonitrile
CID 43166080

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol (CID 3015023) is 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol is COc1ccc(OCC(O)CNC(C)C)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is OWXOFAQEGCLAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)18-10-13(19)11-21-17-9-8-16(20-3)14-6-4-5-7-15(14)17/h4-9,12-13,18-19H,10-11H2,1-3H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol?
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3015023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).