methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate

C17H19NO3 — CID 60880616

IUPACmethyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
SMILESCNCc1ccc(OCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-18-11-13-5-9-16(10-6-13)21-12-14-3-7-15(8-4-14)17(19)20-2/h3-10,18H,11-12H2,1-2H3
InChIKeyZXVYZBWMNPOLLK-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.77
Rot. Bonds6

About methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate

methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate (PubChem CID 60880616) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
PubChem CID60880616
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
SMILESCNCc1ccc(OCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-18-11-13-5-9-16(10-6-13)21-12-14-3-7-15(8-4-14)17(19)20-2/h3-10,18H,11-12H2,1-2H3
InChIKeyZXVYZBWMNPOLLK-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

methyl 4-[[3-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60883533
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
ethane;methyl 4-[3-[4-(methylaminomethyl)phenoxy]prop-1-ynyl]benzoate
CID 143474787
methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
CID 169385691
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[[4-[(2R)-2-bromopropanoyl]phenoxy]methyl]benzoate
CID 97161564
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate (CID 60880616) is methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate is CNCc1ccc(OCc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate?
The InChIKey is ZXVYZBWMNPOLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18-11-13-5-9-16(10-6-13)21-12-14-3-7-15(8-4-14)17(19)20-2/h3-10,18H,11-12H2,1-2H3.
What are the key properties of methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate?
methyl 4-[[4-(methylaminomethyl)phenoxy]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-[[4-(methylaminomethyl)phenoxy]methyl]benzoate is sourced from PubChem (CID 60880616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).