2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine

C17H18ClFN2 — CID 79732033

IUPAC2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C17H18ClFN2/c18-15-10-13(19)7-6-12(15)9-16(20)14-5-1-3-11-4-2-8-21-17(11)14/h2,4,6-8,10,14,16H,1,3,5,9,20H2
InChIKeyISBADCJTQWULJO-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.86
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine (PubChem CID 79732033) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
PubChem CID79732033
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C17H18ClFN2/c18-15-10-13(19)7-6-12(15)9-16(20)14-5-1-3-11-4-2-8-21-17(11)14/h2,4,6-8,10,14,16H,1,3,5,9,20H2
InChIKeyISBADCJTQWULJO-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine (CID 79732033) is 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine is NC(Cc1ccc(F)cc1Cl)C1CCCc2cccnc21.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
The InChIKey is ISBADCJTQWULJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c18-15-10-13(19)7-6-12(15)9-16(20)14-5-1-3-11-4-2-8-21-17(11)14/h2,4,6-8,10,14,16H,1,3,5,9,20H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine has a molecular weight of 304.80 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine is sourced from PubChem (CID 79732033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).