Indole, 3-(2-aminobutyl)-2-(p-chlorophenyl)-

HCID 40193

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Basic information

CAS: 52018-89-0
Standard SMILES: CCC(N)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIKey: MGCXKZBSZFFGLM-UHFFFAOYSA-N
Molecular formula: C18H19ClN2
Average molar mass: 298.8 g/mol
Monoisotopic mass: 298.1236763

Names & identifiers

Preferred name: Indole, 3-(2-aminobutyl)-2-(p-chlorophenyl)-
IUPAC: 1-[2-(4-chlorophenyl)-1H-indol-3-yl]butan-2-amine
English name: 3-(2-Aminobutyl)-2-(p-chlorophenyl)-1H-indole
Molecular formula: C18H19ClN2
Molecular weight: 298.81

Names & synonyms

52018-89-03-(2-Aminobutyl)-2-(p-chlorophenyl)indole2-(4-Chlorophenyl)-alpha-ethyl-1H-indole-3-ethanamineINDOLE, 3-(2-AMINOBUTYL)-2-(p-CHLOROPHENYL)-1H-Indole-3-ethanamine, 2-(4-chlorophenyl)-alpha-ethyl-RefChem:3492301H-Indole-3-ethanamine, 2-(4-chlorophenyl)-alpha-ethyl-(9CI)1-[2-(4-chlorophenyl)-1H-indol-3-yl]butan-2-amineDTXSID60966350DB-2934523-(2-Aminobutyl )-2-(p-chlorophenyl )-1h-indole3-(2-Aminobutyl)-2-(p-chlorophenyl)-1H-indole

Show more names

1H-Indole-3-ethanamine, 2-(4-chlorophenyl)-α-ethyl-

Database identifiers

CAS: 52018-89-0
PubChem CID: 40193
DTXSID: DTXSID60966350
Nikkaji: J62.645G

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 41.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 327

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