[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium

C13H22NO3+ — CID 6922817

IUPAC[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
SMILESCOc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1
InChIInChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-6-4-12(16-3)5-7-13/h4-7,10-11,14-15H,8-9H2,1-3H3/p+1/t11-/m1/s1
InChIKeyMROZGJJLUZDWPG-LLVKDONJSA-O
MW240.32 g/mol
LogP0.41
Rot. Bonds7

About [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium

[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium (PubChem CID 6922817) has the molecular formula C13H22NO3+ and a molecular weight of 240.32 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
PubChem CID6922817
Molecular FormulaC13H22NO3+
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
SMILESCOc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1
InChIInChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-6-4-12(16-3)5-7-13/h4-7,10-11,14-15H,8-9H2,1-3H3/p+1/t11-/m1/s1
InChIKeyMROZGJJLUZDWPG-LLVKDONJSA-O
XLogP0.41
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6940656
[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7721871
[2-hydroxy-3-(3,4,5-trimethoxyphenoxy)propyl]-propan-2-ylazanium chloride
CID 110184547
[(2S)-3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6988830
[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propyl]-propan-2-ylazanium
CID 36688099
[(2S)-3-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 86308160
cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
CID 7473365
[(2R)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 36688098
[(2S)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 24849134
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
[(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium
CID 7035763

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium?
The IUPAC name of [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium (CID 6922817) is [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium.
What is the SMILES notation for [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium?
The canonical SMILES for [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium is COc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1.
What is the InChIKey of [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium?
The InChIKey is MROZGJJLUZDWPG-LLVKDONJSA-O. The full InChI is InChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-6-4-12(16-3)5-7-13/h4-7,10-11,14-15H,8-9H2,1-3H3/p+1/t11-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium?
[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium has a molecular weight of 240.32 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium is sourced from PubChem (CID 6922817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).