2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine

C12H15F3N2 — CID 82622397

IUPAC2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine
SMILESNCCC1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-1-2-11-10(7-9)8(3-5-16)4-6-17-11/h1-2,7-8,17H,3-6,16H2
InChIKeyDQMDADNUZOGXJC-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.95
Rot. Bonds2

About 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine

2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine (PubChem CID 82622397) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine
PubChem CID82622397
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine
SMILESNCCC1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-1-2-11-10(7-9)8(3-5-16)4-6-17-11/h1-2,7-8,17H,3-6,16H2
InChIKeyDQMDADNUZOGXJC-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273
[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol
CID 22735329
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 23160669
2-[1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine
CID 117201606
4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 23206537
N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
CID 117201677
3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986184
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanol
CID 83752790
4-(2-methoxyethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84620577
benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine
CID 143454290
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine?
The IUPAC name of 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine (CID 82622397) is 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine?
The canonical SMILES for 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine is NCCC1CCNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine?
The InChIKey is DQMDADNUZOGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)9-1-2-11-10(7-9)8(3-5-16)4-6-17-11/h1-2,7-8,17H,3-6,16H2.
What are the key properties of 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine?
2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine has a molecular weight of 244.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine is sourced from PubChem (CID 82622397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).