Bis(3-amino-4-methoxyphenyl)methanone

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Basic information

CAS: 71969-51-2
Standard SMILES: COc1ccc(C(=O)c2ccc(OC)c(N)c2)cc1N
InChIKey: BQHONQTZEHHWKX-UHFFFAOYSA-N
Molecular formula: C15H16N2O3
Average molar mass: 272.3 g/mol
Monoisotopic mass: 272.11609238

Names & identifiers

Preferred name: Bis(3-amino-4-methoxyphenyl)methanone
IUPAC: bis(3-amino-4-methoxyphenyl)methanone

Names & synonyms

bis(3-amino-4-methoxyphenyl)methanone71969-51-23,3'-diamino-4,4'-dimethoxybenzophenoneMethanone, bis(3-amino-4-methoxyphenyl)-CDS1_004011CBMicro_017515Cambridge id 5323134Oprea1_870283MLS000105958DivK1c_005051SCHEMBL310457CHEMBL1488028

Show more names

DTXSID10353852BQHONQTZEHHWKX-UHFFFAOYSA-NHMS2422B07CCG-6149AKOS021983867SMR000102932BIM-0017452.P001EU-0067342

Database identifiers

CAS: 71969-51-2
PubChem CID: 755692
DTXSID: DTXSID10353852
ChEMBL: CHEMBL1488028
Nikkaji: J958.830B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 87.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 307

Related reactions

2 records

New reaction record

HRID 374561As productuspto-grants-1996_01

HRID 726910As productuspto-grants-1998_01

Compound notes

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