methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate

C17H19NO3 — CID 60676710

IUPACmethyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCc2cccc(OC)c2)cc1
InChIInChI=1S/C17H19NO3/c1-20-16-5-3-4-14(10-16)12-18-11-13-6-8-15(9-7-13)17(19)21-2/h3-10,18H,11-12H2,1-2H3
InChIKeyGXFPEXCLUGAIDB-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.77
Rot. Bonds6

About methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate

methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate (PubChem CID 60676710) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
PubChem CID60676710
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCc2cccc(OC)c2)cc1
InChIInChI=1S/C17H19NO3/c1-20-16-5-3-4-14(10-16)12-18-11-13-6-8-15(9-7-13)17(19)21-2/h3-10,18H,11-12H2,1-2H3
InChIKeyGXFPEXCLUGAIDB-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 144842755
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methyl 4-[[(3-cyanophenyl)methylamino]methyl]benzoate
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methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate
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methyl 4-[[3-(methylaminomethyl)phenoxy]methyl]benzoate
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methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
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4-[(3-methoxyphenyl)methylamino]butan-2-one
CID 115235732
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
CID 118562064

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate (CID 60676710) is methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate is COC(=O)c1ccc(CNCc2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate?
The InChIKey is GXFPEXCLUGAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-16-5-3-4-14(10-16)12-18-11-13-6-8-15(9-7-13)17(19)21-2/h3-10,18H,11-12H2,1-2H3.
What are the key properties of methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate?
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate has a molecular weight of 285.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate is sourced from PubChem (CID 60676710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).