methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate

C17H18FNO3 — CID 110887723

IUPACmethyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC(O)c2ccccc2F)cc1
InChIInChI=1S/C17H18FNO3/c1-22-17(21)13-8-6-12(7-9-13)10-19-11-16(20)14-4-2-3-5-15(14)18/h2-9,16,19-20H,10-11H2,1H3
InChIKeyARBZMPTXPLZQDS-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.44
Rot. Bonds6

About methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate

methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate (PubChem CID 110887723) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate
PubChem CID110887723
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Namemethyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC(O)c2ccccc2F)cc1
InChIInChI=1S/C17H18FNO3/c1-22-17(21)13-8-6-12(7-9-13)10-19-11-16(20)14-4-2-3-5-15(14)18/h2-9,16,19-20H,10-11H2,1H3
InChIKeyARBZMPTXPLZQDS-UHFFFAOYSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(3R)-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 70590533
4-[[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355701
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoate
CID 103920556
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 75887806
methyl 4-[2-(2-chlorophenyl)-2-hydroxyethyl]benzoate
CID 67666844
methyl 4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]benzoate
CID 69109044
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566092
methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
CID 47006128

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate (CID 110887723) is methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate is COC(=O)c1ccc(CNCC(O)c2ccccc2F)cc1.
What is the InChIKey of methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate?
The InChIKey is ARBZMPTXPLZQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-22-17(21)13-8-6-12(7-9-13)10-19-11-16(20)14-4-2-3-5-15(14)18/h2-9,16,19-20H,10-11H2,1H3.
What are the key properties of methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate?
methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate has a molecular weight of 303.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate is sourced from PubChem (CID 110887723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).