3-Methyl-4-phenoxyaniline

HCID 15550488

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(N)ccc1Oc1ccccc1
InChIKey: QIELAZSZUTUYSQ-UHFFFAOYSA-N
Molecular formula: C13H13NO
Average molar mass: 199.25 g/mol
Monoisotopic mass: 199.09971404

Names & identifiers

Preferred name: 3-Methyl-4-phenoxyaniline
IUPAC: 3-methyl-4-phenoxyaniline

Names & synonyms

3-METHYL-4-PHENOXYANILINE191284-80-73-methyl-4-phenoxybenzenamineMFCD08688318SCHEMBL2992849SCHEMBL4229054QIELAZSZUTUYSQ-UHFFFAOYSA-NAKOS005264152SY337557DB-425105F94440

Database identifiers

PubChem CID: 15550488

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 189

Related reactions

14 records

New reaction record

HRID 155095As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 307818As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 320265As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 668487As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1239343As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1264032As productuspto-grants-2003_04

HRID 1264051As reactantuspto-grants-2003_04

HRID 1264064As reactantuspto-grants-2003_04

Compound notes

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