(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium

C20H26FN2O3+ — CID 8798742

IUPAC(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C)cc2F)cc1OC
InChIInChI=1S/C20H25FN2O3/c1-5-26-18-9-7-15(11-19(18)25-4)12-23(3)13-20(24)22-17-8-6-14(2)10-16(17)21/h6-11H,5,12-13H2,1-4H3,(H,22,24)/p+1
InChIKeySPDCYYFFTCTCNJ-UHFFFAOYSA-O
MW361.44 g/mol
LogP2.19
Rot. Bonds8

About (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium

(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium (PubChem CID 8798742) has the molecular formula C20H26FN2O3+ and a molecular weight of 361.44 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
PubChem CID8798742
Molecular FormulaC20H26FN2O3+
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C)cc2F)cc1OC
InChIInChI=1S/C20H25FN2O3/c1-5-26-18-9-7-15(11-19(18)25-4)12-23(3)13-20(24)22-17-8-6-14(2)10-16(17)21/h6-11H,5,12-13H2,1-4H3,(H,22,24)/p+1
InChIKeySPDCYYFFTCTCNJ-UHFFFAOYSA-O
XLogP2.19
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2656813
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9025268
[2-(2,4-dimethylanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9264991
[2-(3,4-diethoxyanilino)-2-oxoethyl]-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9223062
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2495726
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2656783
(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8798670
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 8798663
[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 9434510
(4-ethoxy-3-methoxyphenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8798541
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 8798352
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium (CID 8798742) is (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium is CCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C)cc2F)cc1OC.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is SPDCYYFFTCTCNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25FN2O3/c1-5-26-18-9-7-15(11-19(18)25-4)12-23(3)13-20(24)22-17-8-6-14(2)10-16(17)21/h6-11H,5,12-13H2,1-4H3,(H,22,24)/p+1.
What are the key properties of (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium?
(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 361.44 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8798742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).