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

C16H16BrClN2 — CID 82779290

IUPAC1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
SMILESCC(N)(c1ccc(Br)cc1Cl)C1CCc2cccnc21
InChIInChI=1S/C16H16BrClN2/c1-16(19,12-7-5-11(17)9-14(12)18)13-6-4-10-3-2-8-20-15(10)13/h2-3,5,7-9,13H,4,6,19H2,1H3
InChIKeyLUNRLEDAUQOGSV-UHFFFAOYSA-N
MW351.68 g/mol
LogP4.40
Rot. Bonds2

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

1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine (PubChem CID 82779290) has the molecular formula C16H16BrClN2 and a molecular weight of 351.68 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
PubChem CID82779290
Molecular FormulaC16H16BrClN2
Molecular Weight351.68 g/mol
Exact Mass350.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
SMILESCC(N)(c1ccc(Br)cc1Cl)C1CCc2cccnc21
InChIInChI=1S/C16H16BrClN2/c1-16(19,12-7-5-11(17)9-14(12)18)13-6-4-10-3-2-8-20-15(10)13/h2-3,5,7-9,13H,4,6,19H2,1H3
InChIKeyLUNRLEDAUQOGSV-UHFFFAOYSA-N
XLogP4.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.68
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
CID 79732423
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(4-methylphenyl)ethanamine
CID 79745712
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine
CID 79745140
1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
CID 79745553
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylpentan-2-amine
CID 79738392
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782129
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 114910890
1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 82779843
4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol
CID 83075608
1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol
CID 82778951

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine (CID 82779290) is 1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine is CC(N)(c1ccc(Br)cc1Cl)C1CCc2cccnc21.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
The InChIKey is LUNRLEDAUQOGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2/c1-16(19,12-7-5-11(17)9-14(12)18)13-6-4-10-3-2-8-20-15(10)13/h2-3,5,7-9,13H,4,6,19H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine has a molecular weight of 351.68 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine is sourced from PubChem (CID 82779290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).