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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Related Compounds

(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
CID 11163954
1-amino-3-[2-(5-bromo-2-methoxyphenyl)ethylamino]propan-2-ol
CID 115121601
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 66535530
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
1-(1,3-benzodioxol-5-yl)-2-[2-bromo-4-[[2-(1H-indol-3-yl)ethylamino]methyl]-6-methoxyphenoxy]ethanol;hydrochloride
CID 17057513
5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910
2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol
CID 115252199
(1S)-2-[(2-bromophenyl)methylamino]-1-(3,4-dimethoxyphenyl)ethanol
CID 129390967
5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 162972119
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701

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).