1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine

C17H26BrNO2 — CID 105178495

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1cc(Br)cc2c1OCC2)CC(C)COC
InChIInChI=1S/C17H26BrNO2/c1-4-19-16(7-12(2)11-20-3)10-14-9-15(18)8-13-5-6-21-17(13)14/h8-9,12,16,19H,4-7,10-11H2,1-3H3
InChIKeyOUBGHRYKRLFGFP-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.58
Rot. Bonds8

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine (PubChem CID 105178495) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
PubChem CID105178495
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1cc(Br)cc2c1OCC2)CC(C)COC
InChIInChI=1S/C17H26BrNO2/c1-4-19-16(7-12(2)11-20-3)10-14-9-15(18)8-13-5-6-21-17(13)14/h8-9,12,16,19H,4-7,10-11H2,1-3H3
InChIKeyOUBGHRYKRLFGFP-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105178562
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)-5-methoxy-4-methylpentan-2-one
CID 105126745
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178479
3-amino-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-methoxybutan-2-one
CID 116594227
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-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)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272266
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)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105178541

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine (CID 105178495) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine is CCNC(Cc1cc(Br)cc2c1OCC2)CC(C)COC.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine?
The InChIKey is OUBGHRYKRLFGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-4-19-16(7-12(2)11-20-3)10-14-9-15(18)8-13-5-6-21-17(13)14/h8-9,12,16,19H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine has a molecular weight of 356.30 g/mol, XLogP of 3.58, 8 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-5-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 105178495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).