6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine

C16H10ClF3N2O — CID 14279953

IUPAC6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine
SMILESNc1cnc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1
InChIInChI=1S/C16H10ClF3N2O/c17-13-7-10(16(18,19)20)1-4-15(13)23-12-2-3-14-9(6-12)5-11(21)8-22-14/h1-8H,21H2
InChIKeyFEJNDTZPYGTNOQ-UHFFFAOYSA-N
MW338.72 g/mol
LogP5.28
Rot. Bonds2

About 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine

6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine (PubChem CID 14279953) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine.

Molecular Properties

Compound Name6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine
PubChem CID14279953
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine
SMILESNc1cnc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1
InChIInChI=1S/C16H10ClF3N2O/c17-13-7-10(16(18,19)20)1-4-15(13)23-12-2-3-14-9(6-12)5-11(21)8-22-14/h1-8H,21H2
InChIKeyFEJNDTZPYGTNOQ-UHFFFAOYSA-N
XLogP5.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.72
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
CID 14255780
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
7-(trifluoromethyl)quinolin-3-amine
CID 22326826
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
6-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154400368
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789
7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde
CID 142665010
CID 89104061
CID 89104061
1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene
CID 20554022
1-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylbenzene
CID 20524737

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine?
The IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine (CID 14279953) is 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine.
What is the SMILES notation for 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine?
The canonical SMILES for 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine is Nc1cnc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1.
What is the InChIKey of 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine?
The InChIKey is FEJNDTZPYGTNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-13-7-10(16(18,19)20)1-4-15(13)23-12-2-3-14-9(6-12)5-11(21)8-22-14/h1-8H,21H2.
What are the key properties of 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine?
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine has a molecular weight of 338.72 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine is sourced from PubChem (CID 14279953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).