N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine

C17H15F3N2 — CID 142126108

IUPACN-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine
SMILESCNC1=CC(c2ccccc2C(F)(F)F)Nc2ccccc21
InChIInChI=1S/C17H15F3N2/c1-21-15-10-16(22-14-9-5-3-7-12(14)15)11-6-2-4-8-13(11)17(18,19)20/h2-10,16,21-22H,1H3
InChIKeyDHROHVKCEUABFW-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.43
Rot. Bonds2

About N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine

N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine (PubChem CID 142126108) has the molecular formula C17H15F3N2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine
PubChem CID142126108
Molecular FormulaC17H15F3N2
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine
SMILESCNC1=CC(c2ccccc2C(F)(F)F)Nc2ccccc21
InChIInChI=1S/C17H15F3N2/c1-21-15-10-16(22-14-9-5-3-7-12(14)15)11-6-2-4-8-13(11)17(18,19)20/h2-10,16,21-22H,1H3
InChIKeyDHROHVKCEUABFW-UHFFFAOYSA-N
XLogP4.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine
CID 142126107
2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55062903
3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 4744964
N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine
CID 142125686
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677
(3aR,4R,9bR)-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 126167495
ethane;N-methyl-1-phenylethanamine;N-methyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-imine;pentane
CID 142125593
(3S,6R)-6-methyl-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
CID 125456068
6-(2-cyclopropylphenyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 162607435
1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881
(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 7027439

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine?
The IUPAC name of N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine (CID 142126108) is N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine.
What is the SMILES notation for N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine?
The canonical SMILES for N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine is CNC1=CC(c2ccccc2C(F)(F)F)Nc2ccccc21.
What is the InChIKey of N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine?
The InChIKey is DHROHVKCEUABFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2/c1-21-15-10-16(22-14-9-5-3-7-12(14)15)11-6-2-4-8-13(11)17(18,19)20/h2-10,16,21-22H,1H3.
What are the key properties of N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine?
N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine has a molecular weight of 304.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine is sourced from PubChem (CID 142126108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).