[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium

C14H24NO2+ — CID 7721871

IUPAC[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
SMILESCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1C
InChIInChI=1S/C14H23NO2/c1-10(2)15-8-13(16)9-17-14-6-5-11(3)12(4)7-14/h5-7,10,13,15-16H,8-9H2,1-4H3/p+1/t13-/m1/s1
InChIKeyQQGBBQFTLXYBOS-CYBMUJFWSA-O
MW238.35 g/mol
LogP1.01
Rot. Bonds6

About [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium

[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium (PubChem CID 7721871) has the molecular formula C14H24NO2+ and a molecular weight of 238.35 g/mol. Its IUPAC name is [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
PubChem CID7721871
Molecular FormulaC14H24NO2+
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
SMILESCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1C
InChIInChI=1S/C14H23NO2/c1-10(2)15-8-13(16)9-17-14-6-5-11(3)12(4)7-14/h5-7,10,13,15-16H,8-9H2,1-4H3/p+1/t13-/m1/s1
InChIKeyQQGBBQFTLXYBOS-CYBMUJFWSA-O
XLogP1.01
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
CID 6922817
[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6940656
cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 7473347
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
[2-hydroxy-3-(3,4,5-trimethoxyphenoxy)propyl]-propan-2-ylazanium chloride
CID 110184547
[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium
CID 6988816
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
[(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
4-(2,2-dimethoxyethoxy)-1,2-dimethylbenzene
CID 66223394
[(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium
CID 6922830

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium?
The IUPAC name of [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium (CID 7721871) is [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium.
What is the SMILES notation for [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium?
The canonical SMILES for [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium is Cc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1C.
What is the InChIKey of [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium?
The InChIKey is QQGBBQFTLXYBOS-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H23NO2/c1-10(2)15-8-13(16)9-17-14-6-5-11(3)12(4)7-14/h5-7,10,13,15-16H,8-9H2,1-4H3/p+1/t13-/m1/s1.
What are the key properties of [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium?
[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium has a molecular weight of 238.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium is sourced from PubChem (CID 7721871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).