2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol

C17H13F3N2O — CID 44532338

IUPAC2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
SMILESCc1ccc(Nc2ccnc3ccc(C(F)(F)F)cc23)cc1O
InChIInChI=1S/C17H13F3N2O/c1-10-2-4-12(9-16(10)23)22-15-6-7-21-14-5-3-11(8-13(14)15)17(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyYXUYOSYQTJFGTK-UHFFFAOYSA-N
MW318.30 g/mol
LogP5.01
Rot. Bonds2

About 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol

2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol (PubChem CID 44532338) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
PubChem CID44532338
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
SMILESCc1ccc(Nc2ccnc3ccc(C(F)(F)F)cc23)cc1O
InChIInChI=1S/C17H13F3N2O/c1-10-2-4-12(9-16(10)23)22-15-6-7-21-14-5-3-11(8-13(14)15)17(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyYXUYOSYQTJFGTK-UHFFFAOYSA-N
XLogP5.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.30
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532297
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine
CID 113367381
N-[3-methoxy-4-(3-phenylpropoxy)phenyl]-6-(trifluoromethyl)quinolin-4-amine
CID 44532298
2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 141322057
4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile
CID 22646538
N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 164852738
6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 50877956
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
2,6-bis(diethylaminomethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 10096462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol?
The IUPAC name of 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol (CID 44532338) is 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol.
What is the SMILES notation for 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol?
The canonical SMILES for 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol is Cc1ccc(Nc2ccnc3ccc(C(F)(F)F)cc23)cc1O.
What is the InChIKey of 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol?
The InChIKey is YXUYOSYQTJFGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-2-4-12(9-16(10)23)22-15-6-7-21-14-5-3-11(8-13(14)15)17(18,19)20/h2-9,23H,1H3,(H,21,22).
What are the key properties of 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol?
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol has a molecular weight of 318.30 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol is sourced from PubChem (CID 44532338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).