n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine

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Basic information

CAS: 93136-72-2
Standard SMILES: Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CN(C)C
InChIKey: KFJWUQVRJLJPGL-UHFFFAOYSA-N
Molecular formula: C12H15N3O2
Average molar mass: 233.27 g/mol
Monoisotopic mass: 233.11642673

Names & identifiers

Preferred name: n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine
IUPAC: N,N-dimethyl-1-(2-methyl-5-nitro-1H-indol-3-yl)methanamine

Names & synonyms

93136-72-2n,n-dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamineNSC131903SCHEMBL8542497DTXSID70918663KFJWUQVRJLJPGL-UHFFFAOYSA-NNSC-1319032, N,N-trimethyl-5-nitro-1H-indole-3-methanamine5145-86-8

Database identifiers

CAS: 93136-72-2
PubChem CID: 280316
DTXSID: DTXSID70918663

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 64.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 290

Related reactions

1 records

New reaction record

HRID 1600166As reactantuspto-grants-1998_04

Compound notes

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