2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine

C18H28F3N3 — CID 145408700

IUPAC2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCC(CNC)c1cc2c(cc1C(F)F)N(CC(C)F)CCC2
InChIInChI=1S/C18H28F3N3/c1-12(19)11-24-6-4-5-13-7-15(14(9-22-2)10-23-3)16(18(20)21)8-17(13)24/h7-8,12,14,18,22-23H,4-6,9-11H2,1-3H3
InChIKeyYAEYXFIYBDSZPY-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.26
Rot. Bonds8

About 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine

2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 145408700) has the molecular formula C18H28F3N3 and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID145408700
Molecular FormulaC18H28F3N3
Molecular Weight343.44 g/mol
Exact Mass343.22
IUPAC Name2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCC(CNC)c1cc2c(cc1C(F)F)N(CC(C)F)CCC2
InChIInChI=1S/C18H28F3N3/c1-12(19)11-24-6-4-5-13-7-15(14(9-22-2)10-23-3)16(18(20)21)8-17(13)24/h7-8,12,14,18,22-23H,4-6,9-11H2,1-3H3
InChIKeyYAEYXFIYBDSZPY-UHFFFAOYSA-N
XLogP3.26
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine with MolForge

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Related Compounds

6-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 12647571
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-YL)methanamine
CID 1112172
2,4,7,8-Tetramethyl-1,2,3,4-tetrahydroquinoline hydrochloride
CID 6602717
(5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline
CID 14107814
2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile
CID 155519221
8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline
CID 155554274
4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline
CID 162644264
(4aR)-7-(3,3,3-trifluoropropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 162656505
(1-Propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 651423
2,4,7,8-Tetramethyl-1,2,3,4-tetrahydroquinoline
CID 661124
5-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 16244386
7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 2781139

Frequently Asked Questions

What is the IUPAC name of 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine (CID 145408700) is 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine is CNCC(CNC)c1cc2c(cc1C(F)F)N(CC(C)F)CCC2.
What is the InChIKey of 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is YAEYXFIYBDSZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N3/c1-12(19)11-24-6-4-5-13-7-15(14(9-22-2)10-23-3)16(18(20)21)8-17(13)24/h7-8,12,14,18,22-23H,4-6,9-11H2,1-3H3.
What are the key properties of 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine?
2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 343.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(difluoromethyl)-1-(2-fluoropropyl)-3,4-dihydro-2H-quinolin-6-yl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 145408700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).