[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium

C15H24NO4+ — CID 7255970

IUPAC[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
SMILESCOc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCCO1
InChIInChI=1S/C15H23NO4/c1-17-13-8-15(19-3)14(18-2)7-11(13)9-16-10-12-5-4-6-20-12/h7-8,12,16H,4-6,9-10H2,1-3H3/p+1/t12-/m1/s1
InChIKeyOXCKCCGTEIJZMV-GFCCVEGCSA-O
MW282.36 g/mol
LogP0.95
Rot. Bonds7

About [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium

[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium (PubChem CID 7255970) has the molecular formula C15H24NO4+ and a molecular weight of 282.36 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
PubChem CID7255970
Molecular FormulaC15H24NO4+
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
SMILESCOc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCCO1
InChIInChI=1S/C15H23NO4/c1-17-13-8-15(19-3)14(18-2)7-11(13)9-16-10-12-5-4-6-20-12/h7-8,12,16H,4-6,9-10H2,1-3H3/p+1/t12-/m1/s1
InChIKeyOXCKCCGTEIJZMV-GFCCVEGCSA-O
XLogP0.95
TPSA53.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6942240
2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2430826
[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7458193
1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride
CID 69399771
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7248442
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-2-one
CID 65155375
[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
CID 7298330
[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 8002710
[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7196503
[4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6948755
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 77096960
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium?
The IUPAC name of [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium (CID 7255970) is [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium is COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium?
The InChIKey is OXCKCCGTEIJZMV-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H23NO4/c1-17-13-8-15(19-3)14(18-2)7-11(13)9-16-10-12-5-4-6-20-12/h7-8,12,16H,4-6,9-10H2,1-3H3/p+1/t12-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium?
[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium has a molecular weight of 282.36 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7255970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).