2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine

C16H21F2N3 — CID 163834958

IUPAC2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1cc2c(cc1C(F)F)N(C)CC[C@H]2C
InChIInChI=1S/C16H21F2N3/c1-10-4-5-21(3)15-7-14(16(17)18)13(6-12(10)15)11(8-19)9-20-2/h6-10,16H,4-5,19H2,1-3H3/b11-8?,20-9+/t10-/m1/s1
InChIKeyGFGINXSFUYECPV-XWUAQLEISA-N
MW293.36 g/mol
LogP3.57
Rot. Bonds3

About 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine

2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine (PubChem CID 163834958) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine
PubChem CID163834958
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1cc2c(cc1C(F)F)N(C)CC[C@H]2C
InChIInChI=1S/C16H21F2N3/c1-10-4-5-21(3)15-7-14(16(17)18)13(6-12(10)15)11(8-19)9-20-2/h6-10,16H,4-5,19H2,1-3H3/b11-8?,20-9+/t10-/m1/s1
InChIKeyGFGINXSFUYECPV-XWUAQLEISA-N
XLogP3.57
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine with MolForge

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Related Compounds

1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]methanimine
CID 20823473
8-Amino-2-methyl-5-(4-trifluoromethylphenyl)-1,2,3,4-tetrahydro-isoquinoline
CID 23435822
1-[6-Ethyl-4,4-dimethyl-1-(3,3,3-trifluoropropyl)-2,3-dihydroquinolin-7-yl]ethanamine
CID 49821707
1-[6-Ethyl-4,4-dimethyl-1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-7-yl]ethanamine
CID 49821708
1-(3-Fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
CID 58495368
1-[1-[(3,5-Difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine
CID 68790123
1-[6-Ethyl-4,4-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroquinolin-7-yl]ethanamine
CID 68790228
3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline
CID 70883521
[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine
CID 89121330
2-[1-(2-Methylphenyl)ethenylimino]-2-[4-(2-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
CID 89191326
2-[1-(2-Ethylphenyl)ethenylimino]-2-[4-(2-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
CID 89191328
1-[1-[(2,3-Difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine
CID 90917209

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine (CID 163834958) is 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine is C/N=C/C(=CN)c1cc2c(cc1C(F)F)N(C)CC[C@H]2C.
What is the InChIKey of 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is GFGINXSFUYECPV-XWUAQLEISA-N. The full InChI is InChI=1S/C16H21F2N3/c1-10-4-5-21(3)15-7-14(16(17)18)13(6-12(10)15)11(8-19)9-20-2/h6-10,16H,4-5,19H2,1-3H3/b11-8?,20-9+/t10-/m1/s1.
What are the key properties of 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 293.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 163834958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).