2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine

C15H19F2N3 — CID 163691041

IUPAC2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1cc2c(cc1C(F)F)NCCC2C
InChIInChI=1S/C15H19F2N3/c1-9-3-4-20-14-6-13(15(16)17)12(5-11(9)14)10(7-18)8-19-2/h5-9,15,20H,3-4,18H2,1-2H3/b10-7?,19-8+
InChIKeyUXPMILSPDNZAMA-GBOMQZPCSA-N
MW279.33 g/mol
LogP3.54
Rot. Bonds3

About 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine

2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine (PubChem CID 163691041) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
PubChem CID163691041
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1cc2c(cc1C(F)F)NCCC2C
InChIInChI=1S/C15H19F2N3/c1-9-3-4-20-14-6-13(15(16)17)12(5-11(9)14)10(7-18)8-19-2/h5-9,15,20H,3-4,18H2,1-2H3/b10-7?,19-8+
InChIKeyUXPMILSPDNZAMA-GBOMQZPCSA-N
XLogP3.54
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine with MolForge

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Related Compounds

2,2,4,6,7-Pentamethyl-1,2,3,4-tetrahydroquinoline
CID 3142211
3-Propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
(2R,4S)-2-methyl-4-pentyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102337982
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
7-Amino-8-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline
CID 23336604
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
(2R,4S)-2-ethyl-4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 57972829
1-(3-Fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
CID 58495368
2,5-Dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline
CID 59231559
(3R,4S)-6-(difluoromethyl)-4-methyl-3-(3-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 68376018
1-[6-Ethyl-4,4-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroquinolin-7-yl]ethanamine
CID 68790228

Frequently Asked Questions

What is the IUPAC name of 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine (CID 163691041) is 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine is C/N=C/C(=CN)c1cc2c(cc1C(F)F)NCCC2C.
What is the InChIKey of 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is UXPMILSPDNZAMA-GBOMQZPCSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-9-3-4-20-14-6-13(15(16)17)12(5-11(9)14)10(7-18)8-19-2/h5-9,15,20H,3-4,18H2,1-2H3/b10-7?,19-8+.
What are the key properties of 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 279.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 163691041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).