(E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine

C14H17F3N2 — CID 139398501

IUPAC(E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine
SMILESCN/C=C(\C)c1cc2c(cc1C(F)(F)F)NCCC2
InChIInChI=1S/C14H17F3N2/c1-9(8-18-2)11-6-10-4-3-5-19-13(10)7-12(11)14(15,16)17/h6-8,18-19H,3-5H2,1-2H3/b9-8+
InChIKeyPLEYPQSHHBROMH-CMDGGOBGSA-N
MW270.30 g/mol
LogP3.64
Rot. Bonds2

About (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine

(E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine (PubChem CID 139398501) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine
PubChem CID139398501
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name(E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine
SMILESCN/C=C(\C)c1cc2c(cc1C(F)(F)F)NCCC2
InChIInChI=1S/C14H17F3N2/c1-9(8-18-2)11-6-10-4-3-5-19-13(10)7-12(11)14(15,16)17/h6-8,18-19H,3-5H2,1-2H3/b9-8+
InChIKeyPLEYPQSHHBROMH-CMDGGOBGSA-N
XLogP3.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
2,3,4,4a,5,6-Hexahydro-9-(trifluoromethyl)-1H-pyrazino(1,2-a)quinoline
CID 125957
2,2,4,6,7-Pentamethyl-1,2-dihydroquinoline
CID 647805
7-Methyl-1,2,3,4-tetrahydroquinoline
CID 458680
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
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

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine?
The IUPAC name of (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine (CID 139398501) is (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine.
What is the SMILES notation for (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine?
The canonical SMILES for (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine is CN/C=C(\C)c1cc2c(cc1C(F)(F)F)NCCC2.
What is the InChIKey of (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine?
The InChIKey is PLEYPQSHHBROMH-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-9(8-18-2)11-6-10-4-3-5-19-13(10)7-12(11)14(15,16)17/h6-8,18-19H,3-5H2,1-2H3/b9-8+.
What are the key properties of (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine?
(E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine has a molecular weight of 270.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-[7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-1-en-1-amine is sourced from PubChem (CID 139398501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).