[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine

C16H16ClFN2 — CID 123568855

IUPAC[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine
SMILESNCc1c(-c2cc(F)ccc2Cl)ccc2c1CCCN2
InChIInChI=1S/C16H16ClFN2/c17-15-5-3-10(18)8-13(15)11-4-6-16-12(14(11)9-19)2-1-7-20-16/h3-6,8,20H,1-2,7,9,19H2
InChIKeyLFTBMCHZMVRMRV-UHFFFAOYSA-N
MW290.77 g/mol
LogP3.96
Rot. Bonds2

About [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine

[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine (PubChem CID 123568855) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine.

Molecular Properties

Compound Name[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine
PubChem CID123568855
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine
SMILESNCc1c(-c2cc(F)ccc2Cl)ccc2c1CCCN2
InChIInChI=1S/C16H16ClFN2/c17-15-5-3-10(18)8-13(15)11-4-6-16-12(14(11)9-19)2-1-7-20-16/h3-6,8,20H,1-2,7,9,19H2
InChIKeyLFTBMCHZMVRMRV-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine?
The IUPAC name of [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine (CID 123568855) is [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine.
What is the SMILES notation for [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine?
The canonical SMILES for [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine is NCc1c(-c2cc(F)ccc2Cl)ccc2c1CCCN2.
What is the InChIKey of [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine?
The InChIKey is LFTBMCHZMVRMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c17-15-5-3-10(18)8-13(15)11-4-6-16-12(14(11)9-19)2-1-7-20-16/h3-6,8,20H,1-2,7,9,19H2.
What are the key properties of [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine?
[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine has a molecular weight of 290.77 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine is sourced from PubChem (CID 123568855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).