1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

C15H20BrNO2 — CID 104541691

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc(Br)cc2c1OCC2)C1CCC(C)O1
InChIInChI=1S/C15H20BrNO2/c1-9-3-4-13(19-9)14(17-2)12-8-11(16)7-10-5-6-18-15(10)12/h7-9,13-14,17H,3-6H2,1-2H3
InChIKeyLSLKHTQPKSPRFC-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.21
Rot. Bonds3

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (PubChem CID 104541691) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
PubChem CID104541691
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc(Br)cc2c1OCC2)C1CCC(C)O1
InChIInChI=1S/C15H20BrNO2/c1-9-3-4-13(19-9)14(17-2)12-8-11(16)7-10-5-6-18-15(10)12/h7-9,13-14,17H,3-6H2,1-2H3
InChIKeyLSLKHTQPKSPRFC-UHFFFAOYSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 104541616
1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330124
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-cyclopentylmethyl]ethanamine
CID 104541829
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-2-yl)methyl]ethanamine
CID 104541878
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 104541692
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104541671
5-bromo-7-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(5-methyloxolan-2-yl)methanamine
CID 104702213
5-bromo-7-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543388

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (CID 104541691) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is CNC(c1cc(Br)cc2c1OCC2)C1CCC(C)O1.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The InChIKey is LSLKHTQPKSPRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-9-3-4-13(19-9)14(17-2)12-8-11(16)7-10-5-6-18-15(10)12/h7-9,13-14,17H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine has a molecular weight of 326.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 104541691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).