N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine

C18H15F3N2 — CID 155671692

IUPACN,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESCc1cc(N(C)c2ccc(C(F)(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C18H15F3N2/c1-12-11-17(15-5-3-4-6-16(15)22-12)23(2)14-9-7-13(8-10-14)18(19,20)21/h3-11H,1-2H3
InChIKeyUQUWGAGREBGUPO-UHFFFAOYSA-N
MW316.33 g/mol
LogP5.33
Rot. Bonds2

About N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine

N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine (PubChem CID 155671692) has the molecular formula C18H15F3N2 and a molecular weight of 316.33 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine
PubChem CID155671692
Molecular FormulaC18H15F3N2
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESCc1cc(N(C)c2ccc(C(F)(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C18H15F3N2/c1-12-11-17(15-5-3-4-6-16(15)22-12)23(2)14-9-7-13(8-10-14)18(19,20)21/h3-11H,1-2H3
InChIKeyUQUWGAGREBGUPO-UHFFFAOYSA-N
XLogP5.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine?
The IUPAC name of N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine (CID 155671692) is N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine is Cc1cc(N(C)c2ccc(C(F)(F)F)cc2)c2ccccc2n1.
What is the InChIKey of N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine?
The InChIKey is UQUWGAGREBGUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2/c1-12-11-17(15-5-3-4-6-16(15)22-12)23(2)14-9-7-13(8-10-14)18(19,20)21/h3-11H,1-2H3.
What are the key properties of N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine?
N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine has a molecular weight of 316.33 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 155671692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).