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

C14H17F2N3 — CID 162613456

IUPAC2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1cc2c(cc1C(F)F)NCCC2
InChIInChI=1S/C14H17F2N3/c1-18-8-10(7-17)11-5-9-3-2-4-19-13(9)6-12(11)14(15)16/h5-8,14,19H,2-4,17H2,1H3/b10-7?,18-8+
InChIKeyRHDRSSJZRYHFJY-BTCZKNAUSA-N
MW265.31 g/mol
LogP2.98
Rot. Bonds3

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

2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine (PubChem CID 162613456) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
PubChem CID162613456
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1cc2c(cc1C(F)F)NCCC2
InChIInChI=1S/C14H17F2N3/c1-18-8-10(7-17)11-5-9-3-2-4-19-13(9)6-12(11)14(15)16/h5-8,14,19H,2-4,17H2,1H3/b10-7?,18-8+
InChIKeyRHDRSSJZRYHFJY-BTCZKNAUSA-N
XLogP2.98
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

3-Propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(trifluoromethyl)aniline
CID 12064184
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
N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735308
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
N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline
CID 58563197
N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 59230677
2,5-Dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline
CID 59231559

Frequently Asked Questions

What is the IUPAC name of 2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine (CID 162613456) is 2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine is C/N=C/C(=CN)c1cc2c(cc1C(F)F)NCCC2.
What is the InChIKey of 2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is RHDRSSJZRYHFJY-BTCZKNAUSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-18-8-10(7-17)11-5-9-3-2-4-19-13(9)6-12(11)14(15)16/h5-8,14,19H,2-4,17H2,1H3/b10-7?,18-8+.
What are the key properties of 2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine?
2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 265.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 162613456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).