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

C24H28NO2+ — CID 5040154

IUPACdibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
SMILESCc1ccccc1OCC(O)C[NH+](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO2/c1-20-10-8-9-15-24(20)27-19-23(26)18-25(16-21-11-4-2-5-12-21)17-22-13-6-3-7-14-22/h2-15,23,26H,16-19H2,1H3/p+1
InChIKeyAWYKEYBLJROOGP-UHFFFAOYSA-O
MW362.49 g/mol
LogP3.02
Rot. Bonds9

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

dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium (PubChem CID 5040154) has the molecular formula C24H28NO2+ and a molecular weight of 362.49 g/mol. Its IUPAC name is dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium.

Molecular Properties

Compound Namedibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
PubChem CID5040154
Molecular FormulaC24H28NO2+
Molecular Weight362.49 g/mol
Exact Mass362.21
IUPAC Namedibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
SMILESCc1ccccc1OCC(O)C[NH+](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO2/c1-20-10-8-9-15-24(20)27-19-23(26)18-25(16-21-11-4-2-5-12-21)17-22-13-6-3-7-14-22/h2-15,23,26H,16-19H2,1H3/p+1
InChIKeyAWYKEYBLJROOGP-UHFFFAOYSA-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-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
CID 7105877
dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium
CID 2288015
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
benzyl-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-ethylazanium
CID 7157672
dibenzyl-[(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]azanium
CID 7459889
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
benzyl-(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]azanium
CID 2046874
1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 90755109
[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium
CID 2286972
1-(2-benzylpyrrolidin-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 134033749
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
The IUPAC name of dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium (CID 5040154) is dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium.
What is the SMILES notation for dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
The canonical SMILES for dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium is Cc1ccccc1OCC(O)C[NH+](Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
The InChIKey is AWYKEYBLJROOGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27NO2/c1-20-10-8-9-15-24(20)27-19-23(26)18-25(16-21-11-4-2-5-12-21)17-22-13-6-3-7-14-22/h2-15,23,26H,16-19H2,1H3/p+1.
What are the key properties of dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
dibenzyl-[2-hydroxy-3-(2-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-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium is sourced from PubChem (CID 5040154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).