5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one

C23H27NO3 — CID 117068983

IUPAC5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC(O)CNc3cccc4c3CCCC4)cccc21
InChIInChI=1S/C23H27NO3/c25-17(14-24-21-11-3-7-16-6-1-2-8-18(16)21)15-27-23-13-5-9-19-20(23)10-4-12-22(19)26/h3,5,7,9,11,13,17,24-25H,1-2,4,6,8,10,12,14-15H2
InChIKeyCNHDBHNPLUFWSA-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.94
Rot. Bonds6

About 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one

5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 117068983) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID117068983
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC(O)CNc3cccc4c3CCCC4)cccc21
InChIInChI=1S/C23H27NO3/c25-17(14-24-21-11-3-7-16-6-1-2-8-18(16)21)15-27-23-13-5-9-19-20(23)10-4-12-22(19)26/h3,5,7,9,11,13,17,24-25H,1-2,4,6,8,10,12,14-15H2
InChIKeyCNHDBHNPLUFWSA-UHFFFAOYSA-N
XLogP3.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 117068954
(1S,2R)-2-amino-1-phenylpropan-1-ol;5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 134210485
1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol
CID 12912515
3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114265228
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol
CID 14500432

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 117068983) is 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCC(O)CNc3cccc4c3CCCC4)cccc21.
What is the InChIKey of 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is CNHDBHNPLUFWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c25-17(14-24-21-11-3-7-16-6-1-2-8-18(16)21)15-27-23-13-5-9-19-20(23)10-4-12-22(19)26/h3,5,7,9,11,13,17,24-25H,1-2,4,6,8,10,12,14-15H2.
What are the key properties of 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 365.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 117068983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).