2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide

C15H21BrN2O2 — CID 103108672

IUPAC2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C15H21BrN2O2/c1-4-18(3)15(19)10(2)17-9-13-8-11-7-12(16)5-6-14(11)20-13/h5-7,10,13,17H,4,8-9H2,1-3H3
InChIKeyACGZFFMFJCYTNL-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.21
Rot. Bonds5

About 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide

2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103108672) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID103108672
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C15H21BrN2O2/c1-4-18(3)15(19)10(2)17-9-13-8-11-7-12(16)5-6-14(11)20-13/h5-7,10,13,17H,4,8-9H2,1-3H3
InChIKeyACGZFFMFJCYTNL-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 66363325
3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-methylpropanamide
CID 66393370
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 66393927
(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81367322
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine
CID 66393771
tert-butyl N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate
CID 163335584
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
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 66392017
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81407675

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide (CID 103108672) is 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCC1Cc2cc(Br)ccc2O1.
What is the InChIKey of 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is ACGZFFMFJCYTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-4-18(3)15(19)10(2)17-9-13-8-11-7-12(16)5-6-14(11)20-13/h5-7,10,13,17H,4,8-9H2,1-3H3.
What are the key properties of 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 341.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).