(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium

C19H23ClFN2O2+ — CID 9136574

IUPAC(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2O2/c1-23(12-15-11-16(20)5-8-18(15)25-2)13-19(24)22-10-9-14-3-6-17(21)7-4-14/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)/p+1
InChIKeyIHAXJRMCEYPUFA-UHFFFAOYSA-O
MW365.86 g/mol
LogP1.86
Rot. Bonds8

About (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium

(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium (PubChem CID 9136574) has the molecular formula C19H23ClFN2O2+ and a molecular weight of 365.86 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium
PubChem CID9136574
Molecular FormulaC19H23ClFN2O2+
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2O2/c1-23(12-15-11-16(20)5-8-18(15)25-2)13-19(24)22-10-9-14-3-6-17(21)7-4-14/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)/p+1
InChIKeyIHAXJRMCEYPUFA-UHFFFAOYSA-O
XLogP1.86
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136480
(5-chloro-2-methoxyphenyl)methyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9136576
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
(2-chloro-6-fluorophenyl)methyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9197331
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium
CID 9137166
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136688
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136682
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
CID 9431673

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium (CID 9136574) is (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium is COc1ccc(Cl)cc1C[NH+](C)CC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium?
The InChIKey is IHAXJRMCEYPUFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClFN2O2/c1-23(12-15-11-16(20)5-8-18(15)25-2)13-19(24)22-10-9-14-3-6-17(21)7-4-14/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)/p+1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium?
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium has a molecular weight of 365.86 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9136574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).