(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol

C16H23NO3 — CID 95026932

IUPAC(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
SMILESOC[C@@H](NC1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C16H23NO3/c18-12-15(13-4-2-1-3-5-13)17-14-6-8-16(9-7-14)19-10-11-20-16/h1-5,14-15,17-18H,6-12H2/t15-/m1/s1
InChIKeyNGHBNCMAOQCBFS-OAHLLOKOSA-N
MW277.36 g/mol
LogP2.00
Rot. Bonds4

About (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol

(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol (PubChem CID 95026932) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
PubChem CID95026932
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
SMILESOC[C@@H](NC1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C16H23NO3/c18-12-15(13-4-2-1-3-5-13)17-14-6-8-16(9-7-14)19-10-11-20-16/h1-5,14-15,17-18H,6-12H2/t15-/m1/s1
InChIKeyNGHBNCMAOQCBFS-OAHLLOKOSA-N
XLogP2.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-(3,4,5-trifluorophenyl)ethanol
CID 99703106
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
CID 107862243
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182164
2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182335
(2S)-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103784052
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988
(2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol
CID 162080146
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol?
The IUPAC name of (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol (CID 95026932) is (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol is OC[C@@H](NC1CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol?
The InChIKey is NGHBNCMAOQCBFS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO3/c18-12-15(13-4-2-1-3-5-13)17-14-6-8-16(9-7-14)19-10-11-20-16/h1-5,14-15,17-18H,6-12H2/t15-/m1/s1.
What are the key properties of (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol?
(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol has a molecular weight of 277.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol is sourced from PubChem (CID 95026932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).