2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine

C20H19F3N2 — CID 175944503

IUPAC2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
SMILESCc1cc(NC(C)c2cccc(C(F)(F)F)c2C)c2ccccc2n1
InChIInChI=1S/C20H19F3N2/c1-12-11-19(16-7-4-5-10-18(16)24-12)25-14(3)15-8-6-9-17(13(15)2)20(21,22)23/h4-11,14H,1-3H3,(H,24,25)
InChIKeyBMZPJNNURSFIRO-UHFFFAOYSA-N
MW344.38 g/mol
LogP6.04
Rot. Bonds3

About 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine

2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine (PubChem CID 175944503) has the molecular formula C20H19F3N2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
PubChem CID175944503
Molecular FormulaC20H19F3N2
Molecular Weight344.38 g/mol
Exact Mass344.15
IUPAC Name2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
SMILESCc1cc(NC(C)c2cccc(C(F)(F)F)c2C)c2ccccc2n1
InChIInChI=1S/C20H19F3N2/c1-12-11-19(16-7-4-5-10-18(16)24-12)25-14(3)15-8-6-9-17(13(15)2)20(21,22)23/h4-11,14H,1-3H3,(H,24,25)
InChIKeyBMZPJNNURSFIRO-UHFFFAOYSA-N
XLogP6.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.38
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine
CID 175761070
2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
CID 170555847
N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide
CID 170555779
2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 170158881
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine
CID 61064036
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
6-dimethylphosphoryl-2-methyl-4-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinazoline-4,7-diamine
CID 167166014
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine (CID 175944503) is 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine is Cc1cc(NC(C)c2cccc(C(F)(F)F)c2C)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?
The InChIKey is BMZPJNNURSFIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2/c1-12-11-19(16-7-4-5-10-18(16)24-12)25-14(3)15-8-6-9-17(13(15)2)20(21,22)23/h4-11,14H,1-3H3,(H,24,25).
What are the key properties of 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine has a molecular weight of 344.38 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine is sourced from PubChem (CID 175944503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).