2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium

C14H22NO3+ — CID 2430826

IUPAC2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1ccccc1OCC[NH2+]C[C@H]1CCCO1
InChIInChI=1S/C14H21NO3/c1-16-13-6-2-3-7-14(13)18-10-8-15-11-12-5-4-9-17-12/h2-3,6-7,12,15H,4-5,8-11H2,1H3/p+1/t12-/m1/s1
InChIKeyUVJQBHRCKMVDEU-GFCCVEGCSA-O
MW252.33 g/mol
LogP0.82
Rot. Bonds7

About 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium

2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 2430826) has the molecular formula C14H22NO3+ and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID2430826
Molecular FormulaC14H22NO3+
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1ccccc1OCC[NH2+]C[C@H]1CCCO1
InChIInChI=1S/C14H21NO3/c1-16-13-6-2-3-7-14(13)18-10-8-15-11-12-5-4-9-17-12/h2-3,6-7,12,15H,4-5,8-11H2,1H3/p+1/t12-/m1/s1
InChIKeyUVJQBHRCKMVDEU-GFCCVEGCSA-O
XLogP0.82
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyphenoxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7380011
2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2300272
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7196503
[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
CID 7255970
2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7379438
(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6942240
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
CID 2262875
N-[2-(2-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 46562523
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
3-methoxy-4-[3-(oxolan-2-yl)propoxy]benzenecarbothioamide
CID 65160952
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium (CID 2430826) is 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium is COc1ccccc1OCC[NH2+]C[C@H]1CCCO1.
What is the InChIKey of 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is UVJQBHRCKMVDEU-GFCCVEGCSA-O. The full InChI is InChI=1S/C14H21NO3/c1-16-13-6-2-3-7-14(13)18-10-8-15-11-12-5-4-9-17-12/h2-3,6-7,12,15H,4-5,8-11H2,1H3/p+1/t12-/m1/s1.
What are the key properties of 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium?
2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 252.33 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 2430826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).