[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C18H24NO3+ — CID 7830778

IUPAC[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESO[C@@H](C[NH2+][C@H]1CCCc2ccccc21)COCc1ccco1
InChIInChI=1S/C18H23NO3/c20-15(12-21-13-16-7-4-10-22-16)11-19-18-9-3-6-14-5-1-2-8-17(14)18/h1-2,4-5,7-8,10,15,18-20H,3,6,9,11-13H2/p+1/t15-,18-/m0/s1
InChIKeyRVSVIQBLLVPPDG-YJBOKZPZSA-O
MW302.39 g/mol
LogP1.80
Rot. Bonds7

About [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 7830778) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID7830778
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESO[C@@H](C[NH2+][C@H]1CCCc2ccccc21)COCc1ccco1
InChIInChI=1S/C18H23NO3/c20-15(12-21-13-16-7-4-10-22-16)11-19-18-9-3-6-14-5-1-2-8-17(14)18/h1-2,4-5,7-8,10,15,18-20H,3,6,9,11-13H2/p+1/t15-,18-/m0/s1
InChIKeyRVSVIQBLLVPPDG-YJBOKZPZSA-O
XLogP1.80
TPSA59.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Related Compounds

[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2520480
[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7907512
N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096825
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
1-[cyclopentyl(ethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110892630
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401
1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 63922347
1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 110888306
1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633413
1-(8-azaspiro[4.5]decan-8-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 111437430

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 7830778) is [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)COCc1ccco1.
What is the InChIKey of [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is RVSVIQBLLVPPDG-YJBOKZPZSA-O. The full InChI is InChI=1S/C18H23NO3/c20-15(12-21-13-16-7-4-10-22-16)11-19-18-9-3-6-14-5-1-2-8-17(14)18/h1-2,4-5,7-8,10,15,18-20H,3,6,9,11-13H2/p+1/t15-,18-/m0/s1.
What are the key properties of [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 302.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 7830778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).