methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate

C19H23NO4 — CID 15569840

IUPACmethyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1
InChIInChI=1S/C19H23NO4/c1-14-5-3-4-6-18(14)24-13-17(21)12-20-11-15-7-9-16(10-8-15)19(22)23-2/h3-10,17,20-21H,11-13H2,1-2H3
InChIKeyVDNLNZJFAHPCND-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.31
Rot. Bonds8

About methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate

methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate (PubChem CID 15569840) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate
PubChem CID15569840
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1
InChIInChI=1S/C19H23NO4/c1-14-5-3-4-6-18(14)24-13-17(21)12-20-11-15-7-9-16(10-8-15)19(22)23-2/h3-10,17,20-21H,11-13H2,1-2H3
InChIKeyVDNLNZJFAHPCND-UHFFFAOYSA-N
XLogP2.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate (CID 15569840) is methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate is COC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1.
What is the InChIKey of methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate?
The InChIKey is VDNLNZJFAHPCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-14-5-3-4-6-18(14)24-13-17(21)12-20-11-15-7-9-16(10-8-15)19(22)23-2/h3-10,17,20-21H,11-13H2,1-2H3.
What are the key properties of methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate?
methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate has a molecular weight of 329.40 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]benzoate is sourced from PubChem (CID 15569840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).