Basic information
- Standard SMILES
COC(=O)Nc1ccc(NCC2CCOCC2)c(N)c1- InChIKey
VVJAZCBVGPIWAE-UHFFFAOYSA-N- Molecular formula
- C14H21N3O3
- Average molar mass
- 279.33 g/mol
Names & identifiers
- Preferred name
- Methyl {3-amino-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}carbamate
- IUPAC
- methyl N-[3-amino-4-(oxan-4-ylmethylamino)phenyl]carbamate
Names & synonyms
Methyl {3-amino-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}carbamateSCHEMBL10048477VVJAZCBVGPIWAE-UHFFFAOYSA-N849350-94-3DB-297751methyl{3-amino-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}carbamate
Database identifiers
- PubChem CID
- 57723219
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Related reactions
4 records
Compound notes
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