1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine

C17H18BrNO2 — CID 79218484

IUPAC1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCC1COc2ccccc21
InChIInChI=1S/C17H18BrNO2/c1-19-9-12-5-4-7-15(18)17(12)21-11-13-10-20-16-8-3-2-6-14(13)16/h2-8,13,19H,9-11H2,1H3
InChIKeyPWRGYCJSPWDBJD-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.72
Rot. Bonds5

About 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 79218484) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID79218484
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCC1COc2ccccc21
InChIInChI=1S/C17H18BrNO2/c1-19-9-12-5-4-7-15(18)17(12)21-11-13-10-20-16-8-3-2-6-14(13)16/h2-8,13,19H,9-11H2,1H3
InChIKeyPWRGYCJSPWDBJD-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 115952258
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 61390168
1-[3-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 103133008
3-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 79219231
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61389630
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81383137

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine (CID 79218484) is 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Br)c1OCC1COc2ccccc21.
What is the InChIKey of 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is PWRGYCJSPWDBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-19-9-12-5-4-7-15(18)17(12)21-11-13-10-20-16-8-3-2-6-14(13)16/h2-8,13,19H,9-11H2,1H3.
What are the key properties of 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 348.24 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79218484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).