1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine

C15H20BrNO — CID 116660829

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine
SMILESC=CCC(Cc1cc(Br)cc2c1OCC2)NCC
InChIInChI=1S/C15H20BrNO/c1-3-5-14(17-4-2)10-12-9-13(16)8-11-6-7-18-15(11)12/h3,8-9,14,17H,1,4-7,10H2,2H3
InChIKeyUGAINTPACQXTGX-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.48
Rot. Bonds6

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine (PubChem CID 116660829) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine
PubChem CID116660829
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine
SMILESC=CCC(Cc1cc(Br)cc2c1OCC2)NCC
InChIInChI=1S/C15H20BrNO/c1-3-5-14(17-4-2)10-12-9-13(16)8-11-6-7-18-15(11)12/h3,8-9,14,17H,1,4-7,10H2,2H3
InChIKeyUGAINTPACQXTGX-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine
CID 105269841
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105178495
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715786
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105178562
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine
CID 105031744
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105332536
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105178541
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(ethylamino)pentan-2-one
CID 116566893
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178479
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethylpentane-2,3-diol
CID 103449362
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine (CID 116660829) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine is C=CCC(Cc1cc(Br)cc2c1OCC2)NCC.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine?
The InChIKey is UGAINTPACQXTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-3-5-14(17-4-2)10-12-9-13(16)8-11-6-7-18-15(11)12/h3,8-9,14,17H,1,4-7,10H2,2H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine has a molecular weight of 310.24 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine is sourced from PubChem (CID 116660829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).