methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate

C19H22FNO3 — CID 67165931

IUPACmethyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC)c(CNCCc2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-23-18-8-7-14(12-19(22)24-2)11-16(18)13-21-10-9-15-5-3-4-6-17(15)20/h3-8,11,21H,9-10,12-13H2,1-2H3
InChIKeyNYCGURUOEULQAS-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.88
Rot. Bonds8

About methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate

methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate (PubChem CID 67165931) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate
PubChem CID67165931
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Namemethyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC)c(CNCCc2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-23-18-8-7-14(12-19(22)24-2)11-16(18)13-21-10-9-15-5-3-4-6-17(15)20/h3-8,11,21H,9-10,12-13H2,1-2H3
InChIKeyNYCGURUOEULQAS-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
CID 11711595
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 795920
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 2399645
N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide
CID 2891278
N-(2-methoxybenzyl)-3-phenylbutanamide
CID 2914849
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9461986
[2-(4-Fluoro-phenyl)-ethyl]-(2-methoxy-benzyl)-amine
CID 17367751
(2-Fluoro-benzyl)-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 24761094
2-{4-Methoxy-3-[2-(4-trifluoromethyl-phenyl)-ethylcarbamoyl]-benzyl}-butyric acid
CID 9888528
2-(4-Methoxy-3-((4-(trifluoromethyl)benzamido)methyl)benzyl)butanoic acid
CID 10201545
(R)-(4-Methoxy-phenyl)-(R)-piperidin-2-yl-acetic acid methyl ester
CID 10587632

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate?
The IUPAC name of methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate (CID 67165931) is methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate?
The canonical SMILES for methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate is COC(=O)Cc1ccc(OC)c(CNCCc2ccccc2F)c1.
What is the InChIKey of methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate?
The InChIKey is NYCGURUOEULQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-23-18-8-7-14(12-19(22)24-2)11-16(18)13-21-10-9-15-5-3-4-6-17(15)20/h3-8,11,21H,9-10,12-13H2,1-2H3.
What are the key properties of methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate?
methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate has a molecular weight of 331.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-4-methoxyphenyl]acetate is sourced from PubChem (CID 67165931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).