dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium

C24H28NO2+ — CID 7105877

IUPACdibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
SMILESCc1ccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-20-12-14-24(15-13-20)27-19-23(26)18-25(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-15,23,26H,16-19H2,1H3/p+1/t23-/m1/s1
InChIKeyUXWDVQVDWOURDH-HSZRJFAPSA-O
MW362.49 g/mol
LogP3.02
Rot. Bonds9

About dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium

dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium (PubChem CID 7105877) has the molecular formula C24H28NO2+ and a molecular weight of 362.49 g/mol. Its IUPAC name is dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium.

Molecular Properties

Compound Namedibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
PubChem CID7105877
Molecular FormulaC24H28NO2+
Molecular Weight362.49 g/mol
Exact Mass362.21
IUPAC Namedibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
SMILESCc1ccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-20-12-14-24(15-13-20)27-19-23(26)18-25(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-15,23,26H,16-19H2,1H3/p+1/t23-/m1/s1
InChIKeyUXWDVQVDWOURDH-HSZRJFAPSA-O
XLogP3.02
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dibenzyl-[(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]azanium
CID 7459889
dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
CID 5040154
(2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 8741479
benzyl-(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]azanium
CID 2046874
benzyl-[3-(4-bromophenoxy)-2-hydroxypropyl]-phenylazanium
CID 3785546
3-(4-methylphenoxy)propane-1,2-diol;2-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenoxy]ethanol
CID 91516584
bis(2-hydroxyethyl)-(2-hydroxy-3-phenoxypropyl)azanium bromide
CID 44661681
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
CID 43531526
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium?
The IUPAC name of dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium (CID 7105877) is dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium.
What is the SMILES notation for dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium?
The canonical SMILES for dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium is Cc1ccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium?
The InChIKey is UXWDVQVDWOURDH-HSZRJFAPSA-O. The full InChI is InChI=1S/C24H27NO2/c1-20-12-14-24(15-13-20)27-19-23(26)18-25(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-15,23,26H,16-19H2,1H3/p+1/t23-/m1/s1.
What are the key properties of dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium?
dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium has a molecular weight of 362.49 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium is sourced from PubChem (CID 7105877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).