7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine

C10H12BrNO2 — CID 104831059

IUPAC7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2c(Br)cc(OC)cc21
InChIInChI=1S/C10H12BrNO2/c1-12-9-5-14-10-7(9)3-6(13-2)4-8(10)11/h3-4,9,12H,5H2,1-2H3
InChIKeyKQUACKHKVCJEPG-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.11
Rot. Bonds2

About 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine

7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 104831059) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID104831059
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2c(Br)cc(OC)cc21
InChIInChI=1S/C10H12BrNO2/c1-12-9-5-14-10-7(9)3-6(13-2)4-8(10)11/h3-4,9,12H,5H2,1-2H3
InChIKeyKQUACKHKVCJEPG-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-bromo-N,7-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 104831086
8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104831142
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512547
5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 64719068
6,8-dibromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64719069
5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64719518
7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512238
(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223009
7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81481939
9-bromo-7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512582
3-(2-bromo-5-methoxyphenyl)oxetane
CID 172992069

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 104831059) is 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2c(Br)cc(OC)cc21.
What is the InChIKey of 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is KQUACKHKVCJEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-12-9-5-14-10-7(9)3-6(13-2)4-8(10)11/h3-4,9,12H,5H2,1-2H3.
What are the key properties of 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 258.11 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 104831059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).