2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine

C16H17BrN2 — CID 79748660

IUPAC2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)C1CCc2cccnc21
InChIInChI=1S/C16H17BrN2/c17-13-6-3-11(4-7-13)10-15(18)14-8-5-12-2-1-9-19-16(12)14/h1-4,6-7,9,14-15H,5,8,10,18H2
InChIKeyPITBEGLHWRTWLP-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.44
Rot. Bonds3

About 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine

2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine (PubChem CID 79748660) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
PubChem CID79748660
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)C1CCc2cccnc21
InChIInChI=1S/C16H17BrN2/c17-13-6-3-11(4-7-13)10-15(18)14-8-5-12-2-1-9-19-16(12)14/h1-4,6-7,9,14-15H,5,8,10,18H2
InChIKeyPITBEGLHWRTWLP-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 79746206
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylbutan-1-amine
CID 79748029
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methoxyethanamine
CID 79747968
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethanamine
CID 79747927
(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79745613
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198346
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-pyridin-4-ylethanol
CID 79745519
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79739422
2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79748582
cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 80604020

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine (CID 79748660) is 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine is NC(Cc1ccc(Br)cc1)C1CCc2cccnc21.
What is the InChIKey of 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
The InChIKey is PITBEGLHWRTWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-13-6-3-11(4-7-13)10-15(18)14-8-5-12-2-1-9-19-16(12)14/h1-4,6-7,9,14-15H,5,8,10,18H2.
What are the key properties of 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine has a molecular weight of 317.23 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine is sourced from PubChem (CID 79748660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).