(5-acetyl-2-methoxyphenyl)methyl-diethylazanium

C14H22NO2+ — CID 6943942

IUPAC(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
SMILESCC[NH+](CC)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)10-13-9-12(11(3)16)7-8-14(13)17-4/h7-9H,5-6,10H2,1-4H3/p+1
InChIKeyHWQXADPWWSVKPV-UHFFFAOYSA-O
MW236.34 g/mol
LogP1.32
Rot. Bonds6

About (5-acetyl-2-methoxyphenyl)methyl-diethylazanium

(5-acetyl-2-methoxyphenyl)methyl-diethylazanium (PubChem CID 6943942) has the molecular formula C14H22NO2+ and a molecular weight of 236.34 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl-diethylazanium.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
PubChem CID6943942
Molecular FormulaC14H22NO2+
Molecular Weight236.34 g/mol
Exact Mass236.16
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
SMILESCC[NH+](CC)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)10-13-9-12(11(3)16)7-8-14(13)17-4/h7-9H,5-6,10H2,1-4H3/p+1
InChIKeyHWQXADPWWSVKPV-UHFFFAOYSA-O
XLogP1.32
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl-[[2-methoxy-5-[(Z)-N-(methoxycarbonylamino)-C-methylcarbonimidoyl]phenyl]methyl]azanium
CID 9075338
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
diethyl-[[5-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methyl]azanium
CID 8829895
diethyl-[[2-methoxy-5-[(Z)-N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]methyl]azanium
CID 9359284
diethyl-[[5-[(Z)-N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]methyl]azanium
CID 9016644
[5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methyl-diethylazanium
CID 9234386
(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808487
4-[(2Z)-2-[1-[3-[(diethylazaniumyl)methyl]-4-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012973
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl-diethylazanium?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl-diethylazanium (CID 6943942) is (5-acetyl-2-methoxyphenyl)methyl-diethylazanium.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl-diethylazanium?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl-diethylazanium is CC[NH+](CC)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl-diethylazanium?
The InChIKey is HWQXADPWWSVKPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21NO2/c1-5-15(6-2)10-13-9-12(11(3)16)7-8-14(13)17-4/h7-9H,5-6,10H2,1-4H3/p+1.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl-diethylazanium?
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium has a molecular weight of 236.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl-diethylazanium is sourced from PubChem (CID 6943942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).