1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine

C16H20BrNO — CID 105139091

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H20BrNO/c1-18-14(9-11-5-2-3-6-11)15-10-12-7-4-8-13(17)16(12)19-15/h4,7-8,10-11,14,18H,2-3,5-6,9H2,1H3
InChIKeyKESKIUALTDCODI-UHFFFAOYSA-N
MW322.25 g/mol
LogP5.04
Rot. Bonds4

About 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine

1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine (PubChem CID 105139091) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
PubChem CID105139091
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H20BrNO/c1-18-14(9-11-5-2-3-6-11)15-10-12-7-4-8-13(17)16(12)19-15/h4,7-8,10-11,14,18H,2-3,5-6,9H2,1H3
InChIKeyKESKIUALTDCODI-UHFFFAOYSA-N
XLogP5.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.25
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
CID 105151800
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 105156231
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
CID 114730852
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177810
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine (CID 105139091) is 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine is CNC(CC1CCCC1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine?
The InChIKey is KESKIUALTDCODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-18-14(9-11-5-2-3-6-11)15-10-12-7-4-8-13(17)16(12)19-15/h4,7-8,10-11,14,18H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine?
1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine has a molecular weight of 322.25 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 105139091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).