[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine

C16H16BrNO2 — CID 79226329

IUPAC[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2COc3ccccc32)c(Br)c1
InChIInChI=1S/C16H16BrNO2/c17-14-7-11(8-18)5-6-16(14)20-10-12-9-19-15-4-2-1-3-13(12)15/h1-7,12H,8-10,18H2
InChIKeyXJKQNRRUQNLLGX-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.46
Rot. Bonds4

About [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine

[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine (PubChem CID 79226329) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
PubChem CID79226329
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2COc3ccccc32)c(Br)c1
InChIInChI=1S/C16H16BrNO2/c17-14-7-11(8-18)5-6-16(14)20-10-12-9-19-15-4-2-1-3-13(12)15/h1-7,12H,8-10,18H2
InChIKeyXJKQNRRUQNLLGX-UHFFFAOYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
CID 104768732
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692566
[3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 63771057
1-[5-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218487
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
3-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 79219231
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid
CID 79218339

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine (CID 79226329) is [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine is NCc1ccc(OCC2COc3ccccc32)c(Br)c1.
What is the InChIKey of [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine?
The InChIKey is XJKQNRRUQNLLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-14-7-11(8-18)5-6-16(14)20-10-12-9-19-15-4-2-1-3-13(12)15/h1-7,12H,8-10,18H2.
What are the key properties of [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine?
[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine has a molecular weight of 334.21 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 79226329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).