benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium

C18H24NO2+ — CID 7012592

IUPACbenzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium
SMILESOCC[NH+](CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c20-13-11-19(15-17-7-3-1-4-8-17)12-14-21-16-18-9-5-2-6-10-18/h1-10,20H,11-16H2/p+1
InChIKeyDZOHSMSGNGPWCO-UHFFFAOYSA-O
MW286.40 g/mol
LogP1.28
Rot. Bonds9

About benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium

benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium (PubChem CID 7012592) has the molecular formula C18H24NO2+ and a molecular weight of 286.40 g/mol. Its IUPAC name is benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium.

Molecular Properties

Compound Namebenzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium
PubChem CID7012592
Molecular FormulaC18H24NO2+
Molecular Weight286.40 g/mol
Exact Mass286.18
IUPAC Namebenzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium
SMILESOCC[NH+](CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c20-13-11-19(15-17-7-3-1-4-8-17)12-14-21-16-18-9-5-2-6-10-18/h1-10,20H,11-16H2/p+1
InChIKeyDZOHSMSGNGPWCO-UHFFFAOYSA-O
XLogP1.28
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
benzyl-[(2-bromo-4,5-dimethoxyphenyl)methyl]-(2-hydroxyethyl)azanium
CID 7442845
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol
CID 138693605
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
cyclohexanamine;2-phenylmethoxyethanol
CID 143913686
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
CID 66734377
CID 66734377
2-iodoethoxymethylbenzene
CID 10355314

Frequently Asked Questions

What is the IUPAC name of benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium?
The IUPAC name of benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium (CID 7012592) is benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium.
What is the SMILES notation for benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium?
The canonical SMILES for benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium is OCC[NH+](CCOCc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium?
The InChIKey is DZOHSMSGNGPWCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23NO2/c20-13-11-19(15-17-7-3-1-4-8-17)12-14-21-16-18-9-5-2-6-10-18/h1-10,20H,11-16H2/p+1.
What are the key properties of benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium?
benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium has a molecular weight of 286.40 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium is sourced from PubChem (CID 7012592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).