2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine

C12H15F3N2 — CID 61150769

IUPAC2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccc2c(c1)CCCN2
InChIInChI=1S/C12H15F3N2/c13-12(14,15)8-16-7-9-3-4-11-10(6-9)2-1-5-17-11/h3-4,6,16-17H,1-2,5,7-8H2
InChIKeyOOUWKSVJRTWOGG-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.70
Rot. Bonds3

About 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine (PubChem CID 61150769) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
PubChem CID61150769
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccc2c(c1)CCCN2
InChIInChI=1S/C12H15F3N2/c13-12(14,15)8-16-7-9-3-4-11-10(6-9)2-1-5-17-11/h3-4,6,16-17H,1-2,5,7-8H2
InChIKeyOOUWKSVJRTWOGG-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
CID 60997427
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine
CID 141265995
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline
CID 61149619
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine
CID 61151262
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144156
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine (CID 61150769) is 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine is FC(F)(F)CNCc1ccc2c(c1)CCCN2.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine?
The InChIKey is OOUWKSVJRTWOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)8-16-7-9-3-4-11-10(6-9)2-1-5-17-11/h3-4,6,16-17H,1-2,5,7-8H2.
What are the key properties of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine has a molecular weight of 244.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine is sourced from PubChem (CID 61150769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).