1-(3-bromofuran-2-yl)-2-cycloheptylethanamine

C13H20BrNO — CID 115861686

IUPAC1-(3-bromofuran-2-yl)-2-cycloheptylethanamine
SMILESNC(CC1CCCCCC1)c1occc1Br
InChIInChI=1S/C13H20BrNO/c14-11-7-8-16-13(11)12(15)9-10-5-3-1-2-4-6-10/h7-8,10,12H,1-6,9,15H2
InChIKeyUUOACTPZIDYJED-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.40
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine

1-(3-bromofuran-2-yl)-2-cycloheptylethanamine (PubChem CID 115861686) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-cycloheptylethanamine
PubChem CID115861686
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(3-bromofuran-2-yl)-2-cycloheptylethanamine
SMILESNC(CC1CCCCCC1)c1occc1Br
InChIInChI=1S/C13H20BrNO/c14-11-7-8-16-13(11)12(15)9-10-5-3-1-2-4-6-10/h7-8,10,12H,1-6,9,15H2
InChIKeyUUOACTPZIDYJED-UHFFFAOYSA-N
XLogP4.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 131091304
[(3-bromofuran-2-yl)-cyclobutylmethyl]hydrazine
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1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
CID 115712391
[1-(3-bromofuran-2-yl)-2-cyclopropylpropyl]hydrazine
CID 105309088
N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
CID 63942655
1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188
1-(3-bromofuran-2-yl)-2-(oxan-4-yl)ethanol
CID 106886280
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 65402562
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine (CID 115861686) is 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine is NC(CC1CCCCCC1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine?
The InChIKey is UUOACTPZIDYJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c14-11-7-8-16-13(11)12(15)9-10-5-3-1-2-4-6-10/h7-8,10,12H,1-6,9,15H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine?
1-(3-bromofuran-2-yl)-2-cycloheptylethanamine has a molecular weight of 286.21 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-cycloheptylethanamine is sourced from PubChem (CID 115861686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).