N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C17H20BrNOS — CID 66392017

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCC1Cc2cc(Br)ccc2O1)c1cccs1
InChIInChI=1S/C17H20BrNOS/c1-11(2)17(16-4-3-7-21-16)19-10-14-9-12-8-13(18)5-6-15(12)20-14/h3-8,11,14,17,19H,9-10H2,1-2H3
InChIKeyLWAILMPXKFKMMO-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.80
Rot. Bonds5

About N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 66392017) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID66392017
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCC1Cc2cc(Br)ccc2O1)c1cccs1
InChIInChI=1S/C17H20BrNOS/c1-11(2)17(16-4-3-7-21-16)19-10-14-9-12-8-13(18)5-6-15(12)20-14/h3-8,11,14,17,19H,9-10H2,1-2H3
InChIKeyLWAILMPXKFKMMO-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine with MolForge

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Related Compounds

(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81367322
(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81407675
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine
CID 66392429
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 66391230
1-(4-bromo-2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 82777884
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 66393927
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine
CID 66393771
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108672
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104760212
1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 61003691
2,6-dibromo-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 66393732
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 66392017) is N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCC1Cc2cc(Br)ccc2O1)c1cccs1.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is LWAILMPXKFKMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-11(2)17(16-4-3-7-21-16)19-10-14-9-12-8-13(18)5-6-15(12)20-14/h3-8,11,14,17,19H,9-10H2,1-2H3.
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 366.32 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 66392017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).