1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine

C11H14BrNO2 — CID 66392429

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine
SMILESCCONCC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C11H14BrNO2/c1-2-14-13-7-10-6-8-5-9(12)3-4-11(8)15-10/h3-5,10,13H,2,6-7H2,1H3
InChIKeyCWVRLVDMEBXSTF-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.29
Rot. Bonds4

About 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine

1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine (PubChem CID 66392429) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine
PubChem CID66392429
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine
SMILESCCONCC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C11H14BrNO2/c1-2-14-13-7-10-6-8-5-9(12)3-4-11(8)15-10/h3-5,10,13H,2,6-7H2,1H3
InChIKeyCWVRLVDMEBXSTF-UHFFFAOYSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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]-2-ethoxy-2-methylpropan-1-amine
CID 114942157
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-ethoxyaniline
CID 66393336
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899706
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-2-amine
CID 113471695
1-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 66394154
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline
CID 66392605
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104760212
2,6-dibromo-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 66393732
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
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine (CID 66392429) is 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine is CCONCC1Cc2cc(Br)ccc2O1.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine?
The InChIKey is CWVRLVDMEBXSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-14-13-7-10-6-8-5-9(12)3-4-11(8)15-10/h3-5,10,13H,2,6-7H2,1H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine?
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine has a molecular weight of 272.14 g/mol, XLogP of 2.29, 4 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-2-yl)-N-ethoxymethanamine is sourced from PubChem (CID 66392429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).