5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol

C22H29NO3 — CID 13286542

IUPAC5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)NC1CCc2c(ccc(OCc3ccccc3)c2CCO)C1O
InChIInChI=1S/C22H29NO3/c1-15(2)23-20-10-8-17-18(12-13-24)21(11-9-19(17)22(20)25)26-14-16-6-4-3-5-7-16/h3-7,9,11,15,20,22-25H,8,10,12-14H2,1-2H3
InChIKeyFRGGFOGRSIVBGH-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.15
Rot. Bonds7

About 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol

5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 13286542) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID13286542
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)NC1CCc2c(ccc(OCc3ccccc3)c2CCO)C1O
InChIInChI=1S/C22H29NO3/c1-15(2)23-20-10-8-17-18(12-13-24)21(11-9-19(17)22(20)25)26-14-16-6-4-3-5-7-16/h3-7,9,11,15,20,22-25H,8,10,12-14H2,1-2H3
InChIKeyFRGGFOGRSIVBGH-UHFFFAOYSA-N
XLogP3.15
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(methyl)amino]-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol;oxalic acid
CID 21425573
2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13274742
(1R,2R)-5-(hydroxymethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;dihydrate;hydrochloride
CID 90474531
methyl 6-(tert-butylamino)-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 21425625
2-[1-(1H-indol-3-yl)propan-2-ylamino]-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 21425561
5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 13286576
(6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
CID 138714544
(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
CID 155640920
(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 13067471
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride
CID 21425537
2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 13286542) is 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol is CC(C)NC1CCc2c(ccc(OCc3ccccc3)c2CCO)C1O.
What is the InChIKey of 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is FRGGFOGRSIVBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(2)23-20-10-8-17-18(12-13-24)21(11-9-19(17)22(20)25)26-14-16-6-4-3-5-7-16/h3-7,9,11,15,20,22-25H,8,10,12-14H2,1-2H3.
What are the key properties of 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 355.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 13286542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).