N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine

C18H20F2N2 — CID 67690220

IUPACN-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCN(CCc1c(F)cccc1F)C1CC=C2C=CC=NC2C1
InChIInChI=1S/C18H20F2N2/c1-22(11-9-15-16(19)5-2-6-17(15)20)14-8-7-13-4-3-10-21-18(13)12-14/h2-7,10,14,18H,8-9,11-12H2,1H3
InChIKeyXUNLTLAFOICHNN-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine

N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine (PubChem CID 67690220) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
PubChem CID67690220
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCN(CCc1c(F)cccc1F)C1CC=C2C=CC=NC2C1
InChIInChI=1S/C18H20F2N2/c1-22(11-9-15-16(19)5-2-6-17(15)20)14-8-7-13-4-3-10-21-18(13)12-14/h2-7,10,14,18H,8-9,11-12H2,1H3
InChIKeyXUNLTLAFOICHNN-UHFFFAOYSA-N
XLogP3.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine (CID 67690220) is N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine is CN(CCc1c(F)cccc1F)C1CC=C2C=CC=NC2C1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The InChIKey is XUNLTLAFOICHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2/c1-22(11-9-15-16(19)5-2-6-17(15)20)14-8-7-13-4-3-10-21-18(13)12-14/h2-7,10,14,18H,8-9,11-12H2,1H3.
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine?
N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine has a molecular weight of 302.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine is sourced from PubChem (CID 67690220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).