benzyl N-[(4-aminophenyl)methyl]carbamate

C15H16N2O2 — CID 2757381

IUPACbenzyl N-[(4-aminophenyl)methyl]carbamate
SMILESNc1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2,(H,17,18)
InChIKeyYILCBSAIBMIFQA-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.70
Rot. Bonds4

About benzyl N-[(4-aminophenyl)methyl]carbamate

benzyl N-[(4-aminophenyl)methyl]carbamate (PubChem CID 2757381) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is benzyl N-[(4-aminophenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-aminophenyl)methyl]carbamate
PubChem CID2757381
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namebenzyl N-[(4-aminophenyl)methyl]carbamate
SMILESNc1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2,(H,17,18)
InChIKeyYILCBSAIBMIFQA-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-aminophenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(4-aminophenyl)methyl]carbamate (CID 2757381) is benzyl N-[(4-aminophenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(4-aminophenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(4-aminophenyl)methyl]carbamate is Nc1ccc(CNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[(4-aminophenyl)methyl]carbamate?
The InChIKey is YILCBSAIBMIFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2,(H,17,18).
What are the key properties of benzyl N-[(4-aminophenyl)methyl]carbamate?
benzyl N-[(4-aminophenyl)methyl]carbamate has a molecular weight of 256.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-aminophenyl)methyl]carbamate is sourced from PubChem (CID 2757381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).