bis[(2-aminophenyl)methyl] carbonate

C15H16N2O3 — CID 67076382

IUPACbis[(2-aminophenyl)methyl] carbonate
SMILESNc1ccccc1COC(=O)OCc1ccccc1N
InChIInChI=1S/C15H16N2O3/c16-13-7-3-1-5-11(13)9-19-15(18)20-10-12-6-2-4-8-14(12)17/h1-8H,9-10,16-17H2
InChIKeyZZTXBMIVPSOBIF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.70
Rot. Bonds4

About bis[(2-aminophenyl)methyl] carbonate

bis[(2-aminophenyl)methyl] carbonate (PubChem CID 67076382) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is bis[(2-aminophenyl)methyl] carbonate.

Molecular Properties

Compound Namebis[(2-aminophenyl)methyl] carbonate
PubChem CID67076382
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namebis[(2-aminophenyl)methyl] carbonate
SMILESNc1ccccc1COC(=O)OCc1ccccc1N
InChIInChI=1S/C15H16N2O3/c16-13-7-3-1-5-11(13)9-19-15(18)20-10-12-6-2-4-8-14(12)17/h1-8H,9-10,16-17H2
InChIKeyZZTXBMIVPSOBIF-UHFFFAOYSA-N
XLogP2.70
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze bis[(2-aminophenyl)methyl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbamic acid, (2-methylphenyl)-, phenylmethyl ester
CID 895304
2-Methoxymethyl-p-phenylenediamine
CID 9793859
3-(1,3-Dioxan-2-yl)aniline
CID 601607
2-(Methoxymethyl)aniline
CID 12334306
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
p-Aminobenzyl carbamate
CID 22569099
3-(Dimethoxymethyl)aniline
CID 232571
2-(1,3-Dioxolan-2-yl)aniline
CID 266961
2-[(Tert-butoxy)methyl]aniline
CID 28995272
3-Fluoro-2-(methoxymethyl)aniline
CID 63331648
Formic acid 3-amino-benzyl ester
CID 4477876
2-(Dimethoxymethyl)aniline
CID 585903

Frequently Asked Questions

What is the IUPAC name of bis[(2-aminophenyl)methyl] carbonate?
The IUPAC name of bis[(2-aminophenyl)methyl] carbonate (CID 67076382) is bis[(2-aminophenyl)methyl] carbonate.
What is the SMILES notation for bis[(2-aminophenyl)methyl] carbonate?
The canonical SMILES for bis[(2-aminophenyl)methyl] carbonate is Nc1ccccc1COC(=O)OCc1ccccc1N.
What is the InChIKey of bis[(2-aminophenyl)methyl] carbonate?
The InChIKey is ZZTXBMIVPSOBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-13-7-3-1-5-11(13)9-19-15(18)20-10-12-6-2-4-8-14(12)17/h1-8H,9-10,16-17H2.
What are the key properties of bis[(2-aminophenyl)methyl] carbonate?
bis[(2-aminophenyl)methyl] carbonate has a molecular weight of 272.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-aminophenyl)methyl] carbonate is sourced from PubChem (CID 67076382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).