N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine

C15H16BrNOS — CID 66362511

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2c(c1)CC(CNCc1cc(Br)cs1)O2
InChIInChI=1S/C15H16BrNOS/c1-10-2-3-15-11(4-10)5-13(18-15)7-17-8-14-6-12(16)9-19-14/h2-4,6,9,13,17H,5,7-8H2,1H3
InChIKeyVMDWECXKQMMUPR-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.91
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine

N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 66362511) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID66362511
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2c(c1)CC(CNCc1cc(Br)cs1)O2
InChIInChI=1S/C15H16BrNOS/c1-10-2-3-15-11(4-10)5-13(18-15)7-17-8-14-6-12(16)9-19-14/h2-4,6,9,13,17H,5,7-8H2,1H3
InChIKeyVMDWECXKQMMUPR-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66360586
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 66361354
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 106372983
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 66361339
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006
2,6-dibromo-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 66393732
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 106841886
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106429606
1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66362796
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 115989785

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 66362511) is N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine is Cc1ccc2c(c1)CC(CNCc1cc(Br)cs1)O2.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is VMDWECXKQMMUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-10-2-3-15-11(4-10)5-13(18-15)7-17-8-14-6-12(16)9-19-14/h2-4,6,9,13,17H,5,7-8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 338.27 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 66362511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).