3,5-Dimethoxy-N-methylbenzenamine

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Basic information

CAS: 118684-17-6
Standard SMILES: CNc1cc(OC)cc(OC)c1
InChIKey: DZJRIEASIKLRQK-UHFFFAOYSA-N
Molecular formula: C9H13NO2
Average molar mass: 167.2 g/mol
Monoisotopic mass: 167.09462866

Names & identifiers

Preferred name: 3,5-Dimethoxy-N-methylbenzenamine
IUPAC: 3,5-dimethoxy-N-methylaniline

Names & synonyms

118684-17-63,5-dimethoxy-N-methylBenzenamineRefChem:2718383,5-dimethoxy-N-methylanilineSCHEMBL1547866SCHEMBL1547868SCHEMBL20885253,5-dimethoxy-N-methyl-anilineDZJRIEASIKLRQK-UHFFFAOYSA-NDTXSID501300385MFCD11152001AKOS000256417

Show more names

DB-122490CS-0301380EN300-171205H71393F713011

Database identifiers

CAS: 118684-17-6
PubChem CID: 14523536
DTXSID: DTXSID501300385
Nikkaji: J2.651.331F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 30.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 118

Related reactions

5 records

New reaction record

HRID 351117As productuspto-grants-2007_02

HRID 960164As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1182113As reactantuspto-grants-2007_10

HRID 1568560As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2266969As productuspto-grants-2010_12

Compound notes

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