methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate

C17H19NO3 — CID 11233903

IUPACmethyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCCc2ccccc2O)cc1
InChIInChI=1S/C17H19NO3/c1-21-17(20)15-8-6-13(7-9-15)12-18-11-10-14-4-2-3-5-16(14)19/h2-9,18-19H,10-12H2,1H3
InChIKeyFFKFHJBFCYHJJJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.51
Rot. Bonds6

About methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate

methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate (PubChem CID 11233903) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate
PubChem CID11233903
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCCc2ccccc2O)cc1
InChIInChI=1S/C17H19NO3/c1-21-17(20)15-8-6-13(7-9-15)12-18-11-10-14-4-2-3-5-16(14)19/h2-9,18-19H,10-12H2,1H3
InChIKeyFFKFHJBFCYHJJJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
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CID 60976725
methyl 4-[(2-sulfamoylethylamino)methyl]benzoate
CID 43551871
methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate
CID 36776245
4-[(4-methoxycarbonylphenyl)methylamino]butanoic acid
CID 60782858
methyl 4-[(2-ethylsulfonylethylamino)methyl]benzoate
CID 113245478
methyl 4-[(2-cyanoethylamino)methyl]benzoate
CID 28728386
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
methyl 4-[[(3-ethoxy-3-oxopropyl)amino]methyl]benzoate
CID 60649490
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate (CID 11233903) is methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate is COC(=O)c1ccc(CNCCc2ccccc2O)cc1.
What is the InChIKey of methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate?
The InChIKey is FFKFHJBFCYHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-17(20)15-8-6-13(7-9-15)12-18-11-10-14-4-2-3-5-16(14)19/h2-9,18-19H,10-12H2,1H3.
What are the key properties of methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate?
methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate has a molecular weight of 285.34 g/mol, XLogP of 2.51, 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-hydroxyphenyl)ethylamino]methyl]benzoate is sourced from PubChem (CID 11233903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).