ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate

C14H20FNO3 — CID 60696173

IUPACethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
SMILESCCOC(=O)CN(CC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO3/c1-4-16(10-14(17)19-5-2)9-11-6-7-13(18-3)12(15)8-11/h6-8H,4-5,9-10H2,1-3H3
InChIKeyQNPJMLOKAAJVIW-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.22
Rot. Bonds7

About ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate

ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate (PubChem CID 60696173) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
PubChem CID60696173
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
SMILESCCOC(=O)CN(CC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO3/c1-4-16(10-14(17)19-5-2)9-11-6-7-13(18-3)12(15)8-11/h6-8H,4-5,9-10H2,1-3H3
InChIKeyQNPJMLOKAAJVIW-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43458882
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18191553
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014
methyl 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 9349462
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
CID 18191552
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanimidamide
CID 54993080
N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 9349258
(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
CID 8912011
2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
CID 87015047

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate (CID 60696173) is ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate is CCOC(=O)CN(CC)Cc1ccc(OC)c(F)c1.
What is the InChIKey of ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate?
The InChIKey is QNPJMLOKAAJVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-4-16(10-14(17)19-5-2)9-11-6-7-13(18-3)12(15)8-11/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate?
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate has a molecular weight of 269.32 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate is sourced from PubChem (CID 60696173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).