benzyl 4-(aminomethyl)benzoate

C15H15NO2 — CID 11356901

IUPACbenzyl 4-(aminomethyl)benzoate
SMILESNCc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2
InChIKeyFCGLCSVHSUTHOE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.50
Rot. Bonds4

About benzyl 4-(aminomethyl)benzoate

benzyl 4-(aminomethyl)benzoate (PubChem CID 11356901) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is benzyl 4-(aminomethyl)benzoate.

Molecular Properties

Compound Namebenzyl 4-(aminomethyl)benzoate
PubChem CID11356901
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namebenzyl 4-(aminomethyl)benzoate
SMILESNCc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2
InChIKeyFCGLCSVHSUTHOE-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(aminomethyl)benzoate?
The IUPAC name of benzyl 4-(aminomethyl)benzoate (CID 11356901) is benzyl 4-(aminomethyl)benzoate.
What is the SMILES notation for benzyl 4-(aminomethyl)benzoate?
The canonical SMILES for benzyl 4-(aminomethyl)benzoate is NCc1ccc(C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-(aminomethyl)benzoate?
The InChIKey is FCGLCSVHSUTHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2.
What are the key properties of benzyl 4-(aminomethyl)benzoate?
benzyl 4-(aminomethyl)benzoate has a molecular weight of 241.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(aminomethyl)benzoate is sourced from PubChem (CID 11356901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).