(3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

C18H22FN2O2+ — CID 8909166

IUPAC(3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccccc1CNC(=O)C[NH+](C)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-21(12-14-6-5-8-16(19)10-14)13-18(22)20-11-15-7-3-4-9-17(15)23-2/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1
InChIKeyLLBHJQGKOLEBPG-UHFFFAOYSA-O
MW317.38 g/mol
LogP1.17
Rot. Bonds7

About (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

(3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (PubChem CID 8909166) has the molecular formula C18H22FN2O2+ and a molecular weight of 317.38 g/mol. Its IUPAC name is (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
PubChem CID8909166
Molecular FormulaC18H22FN2O2+
Molecular Weight317.38 g/mol
Exact Mass317.17
IUPAC Name(3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccccc1CNC(=O)C[NH+](C)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-21(12-14-6-5-8-16(19)10-14)13-18(22)20-11-15-7-3-4-9-17(15)23-2/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1
InChIKeyLLBHJQGKOLEBPG-UHFFFAOYSA-O
XLogP1.17
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8872618
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
(5-chloro-2-methoxyphenyl)methyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9136576
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8680598
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797600
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (CID 8909166) is (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is COc1ccccc1CNC(=O)C[NH+](C)Cc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is LLBHJQGKOLEBPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21FN2O2/c1-21(12-14-6-5-8-16(19)10-14)13-18(22)20-11-15-7-3-4-9-17(15)23-2/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1.
What are the key properties of (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
(3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 317.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8909166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).