aminomethyl 2-phenylmethoxyethyl carbonate

C11H15NO4 — CID 134483943

IUPACaminomethyl 2-phenylmethoxyethyl carbonate
SMILESNCOC(=O)OCCOCc1ccccc1
InChIInChI=1S/C11H15NO4/c12-9-16-11(13)15-7-6-14-8-10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKeyVPVAISANNWLHCG-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.27
Rot. Bonds6

About aminomethyl 2-phenylmethoxyethyl carbonate

aminomethyl 2-phenylmethoxyethyl carbonate (PubChem CID 134483943) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is aminomethyl 2-phenylmethoxyethyl carbonate.

Molecular Properties

Compound Nameaminomethyl 2-phenylmethoxyethyl carbonate
PubChem CID134483943
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameaminomethyl 2-phenylmethoxyethyl carbonate
SMILESNCOC(=O)OCCOCc1ccccc1
InChIInChI=1S/C11H15NO4/c12-9-16-11(13)15-7-6-14-8-10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKeyVPVAISANNWLHCG-UHFFFAOYSA-N
XLogP1.27
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze aminomethyl 2-phenylmethoxyethyl 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

2-phenylmethoxyethyl sulfanylmethyl carbonate
CID 139402472
2-phenylethyl phenylmethoxymethyl carbonate
CID 11022486
2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
CID 129321267
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
2-phenylmethoxyethyl 3-oxobutanoate
CID 14025141
2-phenylmethoxyethyl N-cyclopropylcarbamate
CID 141440519
benzyl 2-hydroxyethyl carbonate
CID 139815197
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
2-ethyl-2-(2-phenylmethoxyethoxycarbonyl)butanoic acid
CID 54396741
benzyl 2-ethenoxyethyl carbonate
CID 19813780

Frequently Asked Questions

What is the IUPAC name of aminomethyl 2-phenylmethoxyethyl carbonate?
The IUPAC name of aminomethyl 2-phenylmethoxyethyl carbonate (CID 134483943) is aminomethyl 2-phenylmethoxyethyl carbonate.
What is the SMILES notation for aminomethyl 2-phenylmethoxyethyl carbonate?
The canonical SMILES for aminomethyl 2-phenylmethoxyethyl carbonate is NCOC(=O)OCCOCc1ccccc1.
What is the InChIKey of aminomethyl 2-phenylmethoxyethyl carbonate?
The InChIKey is VPVAISANNWLHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c12-9-16-11(13)15-7-6-14-8-10-4-2-1-3-5-10/h1-5H,6-9,12H2.
What are the key properties of aminomethyl 2-phenylmethoxyethyl carbonate?
aminomethyl 2-phenylmethoxyethyl carbonate has a molecular weight of 225.24 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl 2-phenylmethoxyethyl carbonate is sourced from PubChem (CID 134483943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).