methyl 4-(benzylamino)benzoate

C15H15NO2 — CID 14425149

IUPACmethyl 4-(benzylamino)benzoate
SMILESCOC(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyLFUBRMQHWKUBDF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.09
Rot. Bonds4

About methyl 4-(benzylamino)benzoate

methyl 4-(benzylamino)benzoate (PubChem CID 14425149) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 4-(benzylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(benzylamino)benzoate
PubChem CID14425149
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 4-(benzylamino)benzoate
SMILESCOC(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyLFUBRMQHWKUBDF-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylamino)benzoate?
The IUPAC name of methyl 4-(benzylamino)benzoate (CID 14425149) is methyl 4-(benzylamino)benzoate.
What is the SMILES notation for methyl 4-(benzylamino)benzoate?
The canonical SMILES for methyl 4-(benzylamino)benzoate is COC(=O)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of methyl 4-(benzylamino)benzoate?
The InChIKey is LFUBRMQHWKUBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3.
What are the key properties of methyl 4-(benzylamino)benzoate?
methyl 4-(benzylamino)benzoate has a molecular weight of 241.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzylamino)benzoate is sourced from PubChem (CID 14425149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).