[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

C21H28NO3+ — CID 7458193

IUPAC[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C21H27NO3/c1-16-5-3-6-18(11-16)15-25-20-9-8-17(12-21(20)23-2)13-22-14-19-7-4-10-24-19/h3,5-6,8-9,11-12,19,22H,4,7,10,13-15H2,1-2H3/p+1/t19-/m1/s1
InChIKeySIHMHIXGRSYBON-LJQANCHMSA-O
MW342.46 g/mol
LogP2.83
Rot. Bonds8

About [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 7458193) has the molecular formula C21H28NO3+ and a molecular weight of 342.46 g/mol. Its IUPAC name is [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID7458193
Molecular FormulaC21H28NO3+
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C21H27NO3/c1-16-5-3-6-18(11-16)15-25-20-9-8-17(12-21(20)23-2)13-22-14-19-7-4-10-24-19/h3,5-6,8-9,11-12,19,22H,4,7,10,13-15H2,1-2H3/p+1/t19-/m1/s1
InChIKeySIHMHIXGRSYBON-LJQANCHMSA-O
XLogP2.83
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7324545
[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7263188
[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
CID 7255970
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2430826
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7458340
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
CID 65162791
N-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
1-benzyl-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159260

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium (CID 7458193) is [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium is COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1cccc(C)c1.
What is the InChIKey of [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is SIHMHIXGRSYBON-LJQANCHMSA-O. The full InChI is InChI=1S/C21H27NO3/c1-16-5-3-6-18(11-16)15-25-20-9-8-17(12-21(20)23-2)13-22-14-19-7-4-10-24-19/h3,5-6,8-9,11-12,19,22H,4,7,10,13-15H2,1-2H3/p+1/t19-/m1/s1.
What are the key properties of [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 342.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7458193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).