[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium

C17H28NO4+ — CID 7196503

IUPAC[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCOc1cccc(OC)c1OC[C@H](C)C[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C17H27NO4/c1-13(10-18-11-14-6-5-9-21-14)12-22-17-15(19-2)7-4-8-16(17)20-3/h4,7-8,13-14,18H,5-6,9-12H2,1-3H3/p+1/t13-,14+/m1/s1
InChIKeyZFYZNUCKNAWSDJ-KGLIPLIRSA-O
MW310.41 g/mol
LogP1.46
Rot. Bonds9

About [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium

[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 7196503) has the molecular formula C17H28NO4+ and a molecular weight of 310.41 g/mol. Its IUPAC name is [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID7196503
Molecular FormulaC17H28NO4+
Molecular Weight310.41 g/mol
Exact Mass310.20
IUPAC Name[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCOc1cccc(OC)c1OC[C@H](C)C[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C17H27NO4/c1-13(10-18-11-14-6-5-9-21-14)12-22-17-15(19-2)7-4-8-16(17)20-3/h4,7-8,13-14,18H,5-6,9-12H2,1-3H3/p+1/t13-,14+/m1/s1
InChIKeyZFYZNUCKNAWSDJ-KGLIPLIRSA-O
XLogP1.46
TPSA53.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883
[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6945380
2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2430826
[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 8002710
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
[(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7127778
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
2-[2-(2,6-dimethoxyphenoxy)ethyl]-1,3-dioxane
CID 66473547

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium (CID 7196503) is [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium is COc1cccc(OC)c1OC[C@H](C)C[NH2+]C[C@@H]1CCCO1.
What is the InChIKey of [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is ZFYZNUCKNAWSDJ-KGLIPLIRSA-O. The full InChI is InChI=1S/C17H27NO4/c1-13(10-18-11-14-6-5-9-21-14)12-22-17-15(19-2)7-4-8-16(17)20-3/h4,7-8,13-14,18H,5-6,9-12H2,1-3H3/p+1/t13-,14+/m1/s1.
What are the key properties of [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 310.41 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7196503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).