ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol

C18H27NO3 — CID 174932203

IUPACethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc2ccccc12.CCO
InChIInChI=1S/C16H21NO2.C2H6O/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2-3/h3-9,12,14,17-18H,10-11H2,1-2H3;3H,2H2,1H3
InChIKeyYGGNQSYGHPSHBX-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.58
Rot. Bonds6

About ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol

ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 174932203) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Nameethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID174932203
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nameethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc2ccccc12.CCO
InChIInChI=1S/C16H21NO2.C2H6O/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2-3/h3-9,12,14,17-18H,10-11H2,1-2H3;3H,2H2,1H3
InChIKeyYGGNQSYGHPSHBX-UHFFFAOYSA-N
XLogP2.58
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;octadecanoic acid
CID 70496276
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172990289
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899

Frequently Asked Questions

What is the IUPAC name of ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol (CID 174932203) is ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1cccc2ccccc12.CCO.
What is the InChIKey of ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is YGGNQSYGHPSHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.C2H6O/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2-3/h3-9,12,14,17-18H,10-11H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol?
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 305.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 174932203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).