2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine

C12H14Br2N2O — CID 68688161

IUPAC2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1c[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C12H14Br2N2O/c1-16(2)3-4-17-11-7-15-12-9(11)5-8(13)6-10(12)14/h5-7,15H,3-4H2,1-2H3
InChIKeyRIHKRQHPKVXWGF-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.63
Rot. Bonds4

About 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine

2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine (PubChem CID 68688161) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine
PubChem CID68688161
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1c[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C12H14Br2N2O/c1-16(2)3-4-17-11-7-15-12-9(11)5-8(13)6-10(12)14/h5-7,15H,3-4H2,1-2H3
InChIKeyRIHKRQHPKVXWGF-UHFFFAOYSA-N
XLogP3.63
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 10483353
4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine
CID 156868293
2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine
CID 164836094
5-bromo-2-[2-(dimethylamino)ethoxy]benzenecarbothioamide
CID 20992605
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
2-[1-(benzenesulfonyl)-5,7-dibromo-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691072
2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine
CID 18980113
2-(2-bromo-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2934581
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
CID 82975510

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine (CID 68688161) is 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine is CN(C)CCOc1c[nH]c2c(Br)cc(Br)cc12.
What is the InChIKey of 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine?
The InChIKey is RIHKRQHPKVXWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c1-16(2)3-4-17-11-7-15-12-9(11)5-8(13)6-10(12)14/h5-7,15H,3-4H2,1-2H3.
What are the key properties of 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine?
2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine has a molecular weight of 362.07 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 68688161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).