N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine

C13H17F3N2 — CID 22735339

IUPACN,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine
SMILESCN(C)CC1CCc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C13H17F3N2/c1-18(2)8-11-5-3-9-7-10(13(14,15)16)4-6-12(9)17-11/h4,6-7,11,17H,3,5,8H2,1-2H3
InChIKeyNXVYGWYUOSFHNX-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.99
Rot. Bonds2

About N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine

N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine (PubChem CID 22735339) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine
PubChem CID22735339
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine
SMILESCN(C)CC1CCc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C13H17F3N2/c1-18(2)8-11-5-3-9-7-10(13(14,15)16)4-6-12(9)17-11/h4,6-7,11,17H,3,5,8H2,1-2H3
InChIKeyNXVYGWYUOSFHNX-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine (CID 22735339) is N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine is CN(C)CC1CCc2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine?
The InChIKey is NXVYGWYUOSFHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-18(2)8-11-5-3-9-7-10(13(14,15)16)4-6-12(9)17-11/h4,6-7,11,17H,3,5,8H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine?
N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine has a molecular weight of 258.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanamine is sourced from PubChem (CID 22735339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).