[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium

C19H24NO2+ — CID 7324545

IUPAC[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium
SMILESc1ccc(COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)cc1
InChIInChI=1S/C19H23NO2/c1-2-6-16(7-3-1)15-22-18-9-4-8-17(12-18)13-20-14-19-10-5-11-21-19/h1-4,6-9,12,19-20H,5,10-11,13-15H2/p+1/t19-/m1/s1
InChIKeyIOAMRPKRUAPWOJ-LJQANCHMSA-O
MW298.41 g/mol
LogP2.51
Rot. Bonds7

About [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium

[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium (PubChem CID 7324545) has the molecular formula C19H24NO2+ and a molecular weight of 298.41 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium
PubChem CID7324545
Molecular FormulaC19H24NO2+
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium
SMILESc1ccc(COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)cc1
InChIInChI=1S/C19H23NO2/c1-2-6-16(7-3-1)15-22-18-9-4-8-17(12-18)13-20-14-19-10-5-11-21-19/h1-4,6-9,12,19-20H,5,10-11,13-15H2/p+1/t19-/m1/s1
InChIKeyIOAMRPKRUAPWOJ-LJQANCHMSA-O
XLogP2.51
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium?
The IUPAC name of [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium (CID 7324545) is [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium is c1ccc(COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)cc1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium?
The InChIKey is IOAMRPKRUAPWOJ-LJQANCHMSA-O. The full InChI is InChI=1S/C19H23NO2/c1-2-6-16(7-3-1)15-22-18-9-4-8-17(12-18)13-20-14-19-10-5-11-21-19/h1-4,6-9,12,19-20H,5,10-11,13-15H2/p+1/t19-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium?
[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium has a molecular weight of 298.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7324545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).