1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol

C17H23NO2 — CID 20517366

IUPAC1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCCC(C)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-3-13(2)18-11-15(19)12-20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,18-19H,3,11-12H2,1-2H3
InChIKeyQHRYZVSYFRFRSI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.97
Rot. Bonds7

About 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol

1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 20517366) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID20517366
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCCC(C)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-3-13(2)18-11-15(19)12-20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,18-19H,3,11-12H2,1-2H3
InChIKeyQHRYZVSYFRFRSI-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol
CID 3051857
1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol (CID 20517366) is 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol is CCC(C)NCC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is QHRYZVSYFRFRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-13(2)18-11-15(19)12-20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,18-19H,3,11-12H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol?
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 20517366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).