N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine

C14H16F3N3O — CID 82252178

IUPACN,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine
SMILESCNCc1cc(N(C)C)c2cc(OC(F)(F)F)ccc2n1
InChIInChI=1S/C14H16F3N3O/c1-18-8-9-6-13(20(2)3)11-7-10(21-14(15,16)17)4-5-12(11)19-9/h4-7,18H,8H2,1-3H3
InChIKeyIPUQFKIFSPSBEZ-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.92
Rot. Bonds4

About N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine

N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine (PubChem CID 82252178) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine
PubChem CID82252178
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine
SMILESCNCc1cc(N(C)C)c2cc(OC(F)(F)F)ccc2n1
InChIInChI=1S/C14H16F3N3O/c1-18-8-9-6-13(20(2)3)11-7-10(21-14(15,16)17)4-5-12(11)19-9/h4-7,18H,8H2,1-3H3
InChIKeyIPUQFKIFSPSBEZ-UHFFFAOYSA-N
XLogP2.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid
CID 39234576
2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370
2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118830517
1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine
CID 171121684
N-methyl-7-(trifluoromethoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62203095
N-cyclopropyl-N-methyl-2-(methylaminomethyl)quinolin-4-amine
CID 55183416
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 91967663
ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one
CID 144970353
2-(2,2-dimethylpropyl)-6-(trifluoromethoxy)-3H-quinazolin-4-one
CID 137232996
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
2-ethyl-N-methyl-6-(2,2,2-trifluoroethoxy)quinolin-4-amine
CID 62203229

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine?
The IUPAC name of N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine (CID 82252178) is N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine is CNCc1cc(N(C)C)c2cc(OC(F)(F)F)ccc2n1.
What is the InChIKey of N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine?
The InChIKey is IPUQFKIFSPSBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-18-8-9-6-13(20(2)3)11-7-10(21-14(15,16)17)4-5-12(11)19-9/h4-7,18H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine?
N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine has a molecular weight of 299.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine is sourced from PubChem (CID 82252178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).