[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C19H22Cl2NO2+ — CID 2520480

IUPAC[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESO[C@H](C[NH2+][C@@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2NO2/c20-16-8-4-9-17(21)19(16)24-12-14(23)11-22-18-10-3-6-13-5-1-2-7-15(13)18/h1-2,4-5,7-9,14,18,22-23H,3,6,10-12H2/p+1/t14-,18-/m1/s1
InChIKeyGQJNFXXFTZTBLZ-RDTXWAMCSA-O
MW367.30 g/mol
LogP3.37
Rot. Bonds6

About [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 2520480) has the molecular formula C19H22Cl2NO2+ and a molecular weight of 367.30 g/mol. Its IUPAC name is [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID2520480
Molecular FormulaC19H22Cl2NO2+
Molecular Weight367.30 g/mol
Exact Mass366.10
IUPAC Name[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESO[C@H](C[NH2+][C@@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2NO2/c20-16-8-4-9-17(21)19(16)24-12-14(23)11-22-18-10-3-6-13-5-1-2-7-15(13)18/h1-2,4-5,7-9,14,18,22-23H,3,6,10-12H2/p+1/t14-,18-/m1/s1
InChIKeyGQJNFXXFTZTBLZ-RDTXWAMCSA-O
XLogP3.37
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Related Compounds

[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7907512
[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7830778
naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7322208
2-(2-chlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247324
(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7320166
3-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 107715792
1-(2,6-dichlorophenoxy)-3-(2,3,4,5-tetrahydro-1-benzoxepin-3-ylamino)propan-2-ol
CID 146075592
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62360958
(2S)-1-(4-cyclopropyl-1,4-diazepan-1-yl)-3-(2,6-dichlorophenoxy)propan-2-ol
CID 97010622
1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
CID 103156822
(3aR,7aR)-2-[(2S)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124739699
1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 2520480) is [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is O[C@H](C[NH2+][C@@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl.
What is the InChIKey of [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is GQJNFXXFTZTBLZ-RDTXWAMCSA-O. The full InChI is InChI=1S/C19H21Cl2NO2/c20-16-8-4-9-17(21)19(16)24-12-14(23)11-22-18-10-3-6-13-5-1-2-7-15(13)18/h1-2,4-5,7-9,14,18,22-23H,3,6,10-12H2/p+1/t14-,18-/m1/s1.
What are the key properties of [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 367.30 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 2520480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).