diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium

C15H24NO3+ — CID 2200049

IUPACdiethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
SMILESCC[NH+](CC)CCCOc1c(C=O)cccc1OC
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)10-7-11-19-15-13(12-17)8-6-9-14(15)18-3/h6,8-9,12H,4-5,7,10-11H2,1-3H3/p+1
InChIKeyWBWOAJIAEBVTPU-UHFFFAOYSA-O
MW266.36 g/mol
LogP1.20
Rot. Bonds9

About diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium

diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium (PubChem CID 2200049) has the molecular formula C15H24NO3+ and a molecular weight of 266.36 g/mol. Its IUPAC name is diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium.

Molecular Properties

Compound Namediethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
PubChem CID2200049
Molecular FormulaC15H24NO3+
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Namediethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
SMILESCC[NH+](CC)CCCOc1c(C=O)cccc1OC
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)10-7-11-19-15-13(12-17)8-6-9-14(15)18-3/h6,8-9,12H,4-5,7,10-11H2,1-3H3/p+1
InChIKeyWBWOAJIAEBVTPU-UHFFFAOYSA-O
XLogP1.20
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde
CID 1253349
3-methoxy-2-(3-piperidin-1-ium-1-ylpropoxy)benzaldehyde
CID 2200637
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-[9-(benzenesulfonyl)nonoxy]-3-methoxybenzaldehyde
CID 88698344

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium?
The IUPAC name of diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium (CID 2200049) is diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium.
What is the SMILES notation for diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium?
The canonical SMILES for diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium is CC[NH+](CC)CCCOc1c(C=O)cccc1OC.
What is the InChIKey of diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium?
The InChIKey is WBWOAJIAEBVTPU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)10-7-11-19-15-13(12-17)8-6-9-14(15)18-3/h6,8-9,12H,4-5,7,10-11H2,1-3H3/p+1.
What are the key properties of diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium?
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium has a molecular weight of 266.36 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium is sourced from PubChem (CID 2200049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).