1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine

C16H24BrNO2 — CID 116715786

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1cc(Br)cc2c1OCC2)C(CC)OC
InChIInChI=1S/C16H24BrNO2/c1-4-15(19-3)14(18-5-2)10-12-9-13(17)8-11-6-7-20-16(11)12/h8-9,14-15,18H,4-7,10H2,1-3H3
InChIKeyBSCFIHVHXRFVPB-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.33
Rot. Bonds7

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine (PubChem CID 116715786) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine
PubChem CID116715786
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1cc(Br)cc2c1OCC2)C(CC)OC
InChIInChI=1S/C16H24BrNO2/c1-4-15(19-3)14(18-5-2)10-12-9-13(17)8-11-6-7-20-16(11)12/h8-9,14-15,18H,4-7,10H2,1-3H3
InChIKeyBSCFIHVHXRFVPB-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N-ethylpentan-2-amine
CID 116717008
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)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272266
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine
CID 116660829
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(ethylamino)pentan-2-one
CID 116566893
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
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)-3-ethylpentane-2,3-diol
CID 103449362
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178502
ethyl 3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxypropanoate
CID 113403461
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine (CID 116715786) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine is CCNC(Cc1cc(Br)cc2c1OCC2)C(CC)OC.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine?
The InChIKey is BSCFIHVHXRFVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-15(19-3)14(18-5-2)10-12-9-13(17)8-11-6-7-20-16(11)12/h8-9,14-15,18H,4-7,10H2,1-3H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 3.33, 7 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-7-yl)-N-ethyl-3-methoxypentan-2-amine is sourced from PubChem (CID 116715786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).