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

HCID 40195

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Basic information

CAS: 52018-91-4
Standard SMILES: CCC(N)Cc1c(-c2ccc(Br)cc2)[nH]c2ccccc12
InChIKey: VBQVMSNFCANGNB-UHFFFAOYSA-N
Molecular formula: C18H19BrN2
Average molar mass: 343.3 g/mol
Monoisotopic mass: 342.07316

Names & identifiers

Preferred name: Indole, 3-(2-aminobutyl)-2-(p-bromophenyl)-
IUPAC: 1-[2-(4-bromophenyl)-1H-indol-3-yl]butan-2-amine
English name: 3-(2-Aminobutyl)-2-(p-bromophenyl)-1H-indole
Molecular formula: C18H19BrN2
Molecular weight: 343.26

Names & synonyms

52018-91-43-(2-Aminobutyl)-2-(p-bromophenyl)indole2-(4-Bromophenyl)-alpha-ethyl-1H-indole-3-ethanamineINDOLE, 3-(2-AMINOBUTYL)-2-(p-BROMOPHENYL)-1H-Indole-3-ethanamine, 2-(4-bromophenyl)-alpha-ethyl-RefChem:3492291H-Indole-3-ethanamine, 2-(4-bromophenyl)-alpha-ethyl-(9CI)1-[2-(4-bromophenyl)-1H-indol-3-yl]butan-2-amineDTXSID80966352DB-2934513-(2-Aminobutyl )-2-(p-bromophenyl )-1h-indole3-(2-Aminobutyl)-2-(p-bromophenyl)-1H-indole

Show more names

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

Database identifiers

CAS: 52018-91-4
PubChem CID: 40195
DTXSID: DTXSID80966352
Nikkaji: J62.644I

Properties

Computed structural properties

XLogP: 4.7
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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