1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine

C15H17BrN2OS — CID 104702402

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCc1nc(CNCc2cc(Br)cc3c2OCC3)cs1
InChIInChI=1S/C15H17BrN2OS/c1-2-14-18-13(9-20-14)8-17-7-11-6-12(16)5-10-3-4-19-15(10)11/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyGPTDGKOLSOOJMN-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.69
Rot. Bonds5

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 104702402) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID104702402
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCc1nc(CNCc2cc(Br)cc3c2OCC3)cs1
InChIInChI=1S/C15H17BrN2OS/c1-2-14-18-13(9-20-14)8-17-7-11-6-12(16)5-10-3-4-19-15(10)11/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyGPTDGKOLSOOJMN-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 104702279
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102837382
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 104702175
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(5-ethoxy-3-pyridinyl)methanamine
CID 167805940
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113449635
4-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 104703609
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,2-diethoxyethanamine
CID 104702398
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 104702272
4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]butan-2-ol
CID 113403288
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(thian-4-yl)methanamine
CID 104754801
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 104702359
3-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclobutan-1-ol
CID 113403290

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine (CID 104702402) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine is CCc1nc(CNCc2cc(Br)cc3c2OCC3)cs1.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is GPTDGKOLSOOJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-2-14-18-13(9-20-14)8-17-7-11-6-12(16)5-10-3-4-19-15(10)11/h5-6,9,17H,2-4,7-8H2,1H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 353.29 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 104702402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).