N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine

C12H15F3N2 — CID 81214914

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCN(CC(F)(F)F)c1cccc2c1CCCN2
InChIInChI=1S/C12H15F3N2/c1-17(8-12(13,14)15)11-6-2-5-10-9(11)4-3-7-16-10/h2,5-6,16H,3-4,7-8H2,1H3
InChIKeyDFZXGKGJKBPNMF-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.04
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine

N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine (PubChem CID 81214914) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine
PubChem CID81214914
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCN(CC(F)(F)F)c1cccc2c1CCCN2
InChIInChI=1S/C12H15F3N2/c1-17(8-12(13,14)15)11-6-2-5-10-9(11)4-3-7-16-10/h2,5-6,16H,3-4,7-8H2,1H3
InChIKeyDFZXGKGJKBPNMF-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine (CID 81214914) is N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine is CN(CC(F)(F)F)c1cccc2c1CCCN2.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine?
The InChIKey is DFZXGKGJKBPNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-17(8-12(13,14)15)11-6-2-5-10-9(11)4-3-7-16-10/h2,5-6,16H,3-4,7-8H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine?
N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine has a molecular weight of 244.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine is sourced from PubChem (CID 81214914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).