(5-Methoxy-2-methyl-1H-indol-4-yl)methanamine

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Basic information

CAS: 111168-67-3
Standard SMILES: COc1ccc2[nH]c(C)cc2c1CN
InChIKey: AZPRLTOKDKTBOM-UHFFFAOYSA-N
Molecular formula: C11H14N2O
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.11061307

Names & identifiers

Preferred name: (5-Methoxy-2-methyl-1H-indol-4-yl)methanamine
IUPAC: (5-methoxy-2-methyl-1H-indol-4-yl)methanamine

Names & synonyms

(5-Methoxy-2-methyl-1H-indol-4-yl)methanamineNSC 28316958867-66-6NSC283169RS6F8GK4P54-(Aminomethyl)-5-methoxy-2-methylindole5-Methoxy-2-methyl-1H-indole-4-methanamine1H-Indole-4-methanamine, 5-methoxy-2-methyl-(5-Methoxy-2-methyl-1H-indol-4-yl)methylamine1-(5-methoxy-2-methyl-1H-indol-4-yl)methanamine111168-67-3

Database identifiers

CAS: 111168-67-3、58867-66-6
PubChem CID: 430880
UNII: RS6F8GK4P5

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 51 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 198

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Compound notes

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