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

C16H15Cl2FN2 — CID 79732423

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
SMILESCC(N)(c1cc(F)c(Cl)cc1Cl)C1CCc2cccnc21
InChIInChI=1S/C16H15Cl2FN2/c1-16(20,11-7-14(19)13(18)8-12(11)17)10-5-4-9-3-2-6-21-15(9)10/h2-3,6-8,10H,4-5,20H2,1H3
InChIKeyZNXHXRDSYVWPQB-UHFFFAOYSA-N
MW325.21 g/mol
LogP4.43
Rot. Bonds2

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

1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine (PubChem CID 79732423) has the molecular formula C16H15Cl2FN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
PubChem CID79732423
Molecular FormulaC16H15Cl2FN2
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
SMILESCC(N)(c1cc(F)c(Cl)cc1Cl)C1CCc2cccnc21
InChIInChI=1S/C16H15Cl2FN2/c1-16(20,11-7-14(19)13(18)8-12(11)17)10-5-4-9-3-2-6-21-15(9)10/h2-3,6-8,10H,4-5,20H2,1H3
InChIKeyZNXHXRDSYVWPQB-UHFFFAOYSA-N
XLogP4.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine (CID 79732423) is 1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine is CC(N)(c1cc(F)c(Cl)cc1Cl)C1CCc2cccnc21.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
The InChIKey is ZNXHXRDSYVWPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2/c1-16(20,11-7-14(19)13(18)8-12(11)17)10-5-4-9-3-2-6-21-15(9)10/h2-3,6-8,10H,4-5,20H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine?
1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine has a molecular weight of 325.21 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine is sourced from PubChem (CID 79732423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).