1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

C17H18BrNO2 — CID 62200882

IUPAC1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1cc(Br)ccc1OC
InChIInChI=1S/C17H18BrNO2/c1-19-17(14-10-13(18)4-6-16(14)20-2)12-3-5-15-11(9-12)7-8-21-15/h3-6,9-10,17,19H,7-8H2,1-2H3
InChIKeyHZDZIHKNFHDCKS-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.70
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 62200882) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
PubChem CID62200882
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1cc(Br)ccc1OC
InChIInChI=1S/C17H18BrNO2/c1-19-17(14-10-13(18)4-6-16(14)20-2)12-3-5-15-11(9-12)7-8-21-15/h3-6,9-10,17,19H,7-8H2,1-2H3
InChIKeyHZDZIHKNFHDCKS-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200884
1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 61026466
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503
1-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482575
5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442832
1-(3-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 107950307
1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62649347
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374293
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(3,5-dibromo-2-pyridinyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 104542845

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (CID 62200882) is 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CCO2)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is HZDZIHKNFHDCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-19-17(14-10-13(18)4-6-16(14)20-2)12-3-5-15-11(9-12)7-8-21-15/h3-6,9-10,17,19H,7-8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 348.24 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 62200882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).