2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol

C19H20Br2N2O2 — CID 11134457

IUPAC2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNCCc2c[nH]c3ccc(Br)cc23)cc1Br
InChIInChI=1S/C19H20Br2N2O2/c1-25-19-5-2-12(8-16(19)21)18(24)11-22-7-6-13-10-23-17-4-3-14(20)9-15(13)17/h2-5,8-10,18,22-24H,6-7,11H2,1H3
InChIKeyIAVFUFSZGXLMGT-UHFFFAOYSA-N
MW468.19 g/mol
LogP4.57
Rot. Bonds7

About 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol

2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol (PubChem CID 11134457) has the molecular formula C19H20Br2N2O2 and a molecular weight of 468.19 g/mol. Its IUPAC name is 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol
PubChem CID11134457
Molecular FormulaC19H20Br2N2O2
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC Name2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNCCc2c[nH]c3ccc(Br)cc23)cc1Br
InChIInChI=1S/C19H20Br2N2O2/c1-25-19-5-2-12(8-16(19)21)18(24)11-22-7-6-13-10-23-17-4-3-14(20)9-15(13)17/h2-5,8-10,18,22-24H,6-7,11H2,1H3
InChIKeyIAVFUFSZGXLMGT-UHFFFAOYSA-N
XLogP4.57
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.19
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol?
The IUPAC name of 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol (CID 11134457) is 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol is COc1ccc(C(O)CNCCc2c[nH]c3ccc(Br)cc23)cc1Br.
What is the InChIKey of 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol?
The InChIKey is IAVFUFSZGXLMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O2/c1-25-19-5-2-12(8-16(19)21)18(24)11-22-7-6-13-10-23-17-4-3-14(20)9-15(13)17/h2-5,8-10,18,22-24H,6-7,11H2,1H3.
What are the key properties of 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol?
2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol has a molecular weight of 468.19 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol is sourced from PubChem (CID 11134457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).