2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

C16H15Cl2FN2 — CID 83078170

IUPAC2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2cccc3c2NCCC3)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2/c17-13-7-12(19)8-14(18)16(13)21-9-11-4-1-3-10-5-2-6-20-15(10)11/h1,3-4,7-8,20-21H,2,5-6,9H2
InChIKeyCQGLLJOOZHWDIA-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.10
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (PubChem CID 83078170) has the molecular formula C16H15Cl2FN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
PubChem CID83078170
Molecular FormulaC16H15Cl2FN2
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2cccc3c2NCCC3)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2/c17-13-7-12(19)8-14(18)16(13)21-9-11-4-1-3-10-5-2-6-20-15(10)11/h1,3-4,7-8,20-21H,2,5-6,9H2
InChIKeyCQGLLJOOZHWDIA-UHFFFAOYSA-N
XLogP5.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649508
2-ethyl-6-methyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649030
8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63968465
4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 114837968
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648669
(1R)-1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81351706
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)benzonitrile
CID 80649907
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678
4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649779
N-(2,3-dihydro-1H-indol-7-ylmethyl)-5-fluoropyridin-3-amine
CID 114254338
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (CID 83078170) is 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is Fc1cc(Cl)c(NCc2cccc3c2NCCC3)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The InChIKey is CQGLLJOOZHWDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2/c17-13-7-12(19)8-14(18)16(13)21-9-11-4-1-3-10-5-2-6-20-15(10)11/h1,3-4,7-8,20-21H,2,5-6,9H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline has a molecular weight of 325.21 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is sourced from PubChem (CID 83078170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).