N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine

C19H16F4N2O — CID 166627540

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NCc3ccc(F)c(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H16F4N2O/c1-11-7-18(14-9-13(26-2)4-6-17(14)25-11)24-10-12-3-5-16(20)15(8-12)19(21,22)23/h3-9H,10H2,1-2H3,(H,24,25)
InChIKeyGVLAHODDQPNSSG-UHFFFAOYSA-N
MW364.34 g/mol
LogP5.32
Rot. Bonds4

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine (PubChem CID 166627540) has the molecular formula C19H16F4N2O and a molecular weight of 364.34 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine
PubChem CID166627540
Molecular FormulaC19H16F4N2O
Molecular Weight364.34 g/mol
Exact Mass364.12
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NCc3ccc(F)c(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H16F4N2O/c1-11-7-18(14-9-13(26-2)4-6-17(14)25-11)24-10-12-3-5-16(20)15(8-12)19(21,22)23/h3-9H,10H2,1-2H3,(H,24,25)
InChIKeyGVLAHODDQPNSSG-UHFFFAOYSA-N
XLogP5.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methylquinolin-4-amine
CID 110432981
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
N-(5-chloro-2-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 886675
N-[(4-methoxyphenyl)methyl]-6-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 90017318
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
2-(6-methoxy-2-methylquinolin-4-yl)propan-2-ol
CID 82449762
6-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)quinolin-4-amine
CID 110435675
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine (CID 166627540) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)cc(NCc3ccc(F)c(C(F)(F)F)c3)c2c1.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is GVLAHODDQPNSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O/c1-11-7-18(14-9-13(26-2)4-6-17(14)25-11)24-10-12-3-5-16(20)15(8-12)19(21,22)23/h3-9H,10H2,1-2H3,(H,24,25).
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine has a molecular weight of 364.34 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 166627540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).