diethyl-[3-(2-phenylphenoxy)propyl]azanium

C19H26NO+ — CID 2296595

IUPACdiethyl-[3-(2-phenylphenoxy)propyl]azanium
SMILESCC[NH+](CC)CCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-20(4-2)15-10-16-21-19-14-9-8-13-18(19)17-11-6-5-7-12-17/h5-9,11-14H,3-4,10,15-16H2,1-2H3/p+1
InChIKeyYBJBMHKCDQMMLA-UHFFFAOYSA-O
MW284.42 g/mol
LogP3.05
Rot. Bonds8

About diethyl-[3-(2-phenylphenoxy)propyl]azanium

diethyl-[3-(2-phenylphenoxy)propyl]azanium (PubChem CID 2296595) has the molecular formula C19H26NO+ and a molecular weight of 284.42 g/mol. Its IUPAC name is diethyl-[3-(2-phenylphenoxy)propyl]azanium.

Molecular Properties

Compound Namediethyl-[3-(2-phenylphenoxy)propyl]azanium
PubChem CID2296595
Molecular FormulaC19H26NO+
Molecular Weight284.42 g/mol
Exact Mass284.20
IUPAC Namediethyl-[3-(2-phenylphenoxy)propyl]azanium
SMILESCC[NH+](CC)CCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-20(4-2)15-10-16-21-19-14-9-8-13-18(19)17-11-6-5-7-12-17/h5-9,11-14H,3-4,10,15-16H2,1-2H3/p+1
InChIKeyYBJBMHKCDQMMLA-UHFFFAOYSA-O
XLogP3.05
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecoxy-2-phenylbenzene
CID 70983974
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
diethyl-[6-(2-methoxyphenoxy)hexyl]azanium
CID 2304713
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
5-(2-chlorophenoxy)pentyl-diethylazanium
CID 2232789
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-(2-phenylphenoxy)propyl]azanium?
The IUPAC name of diethyl-[3-(2-phenylphenoxy)propyl]azanium (CID 2296595) is diethyl-[3-(2-phenylphenoxy)propyl]azanium.
What is the SMILES notation for diethyl-[3-(2-phenylphenoxy)propyl]azanium?
The canonical SMILES for diethyl-[3-(2-phenylphenoxy)propyl]azanium is CC[NH+](CC)CCCOc1ccccc1-c1ccccc1.
What is the InChIKey of diethyl-[3-(2-phenylphenoxy)propyl]azanium?
The InChIKey is YBJBMHKCDQMMLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25NO/c1-3-20(4-2)15-10-16-21-19-14-9-8-13-18(19)17-11-6-5-7-12-17/h5-9,11-14H,3-4,10,15-16H2,1-2H3/p+1.
What are the key properties of diethyl-[3-(2-phenylphenoxy)propyl]azanium?
diethyl-[3-(2-phenylphenoxy)propyl]azanium has a molecular weight of 284.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-(2-phenylphenoxy)propyl]azanium is sourced from PubChem (CID 2296595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).