2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine

C13H16BrNO2 — CID 134862920

IUPAC2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc(Br)c2c(CCN(C)C)coc12
InChIInChI=1S/C13H16BrNO2/c1-15(2)7-6-9-8-17-13-11(16-3)5-4-10(14)12(9)13/h4-5,8H,6-7H2,1-3H3
InChIKeyOBCHJZPWPBCCBT-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.31
Rot. Bonds4

About 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine

2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine (PubChem CID 134862920) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine
PubChem CID134862920
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc(Br)c2c(CCN(C)C)coc12
InChIInChI=1S/C13H16BrNO2/c1-15(2)7-6-9-8-17-13-11(16-3)5-4-10(14)12(9)13/h4-5,8H,6-7H2,1-3H3
InChIKeyOBCHJZPWPBCCBT-UHFFFAOYSA-N
XLogP3.31
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(dimethylamino)ethyl]-7-methyl-1-benzofuran-4-yl] acetate
CID 177084728
3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
CID 170865361
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 10640506
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol
CID 167469231
2-(4-bromo-7-chloro-1-benzofuran-3-yl)-N-ethylethanamine
CID 81049786
N'-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2244920
2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 10082834
4-bromo-3-[2-(dimethylamino)ethyl]aniline
CID 70451093
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine (CID 134862920) is 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine is COc1ccc(Br)c2c(CCN(C)C)coc12.
What is the InChIKey of 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine?
The InChIKey is OBCHJZPWPBCCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-15(2)7-6-9-8-17-13-11(16-3)5-4-10(14)12(9)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine?
2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine has a molecular weight of 298.18 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 134862920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).