2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline

C18H15F3N2 — CID 137425290

IUPAC2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline
SMILESCc1cc(-c2ccc3cc(C(F)(F)F)ccc3n2)c(C)cc1N
InChIInChI=1S/C18H15F3N2/c1-10-8-15(22)11(2)7-14(10)17-5-3-12-9-13(18(19,20)21)4-6-16(12)23-17/h3-9H,22H2,1-2H3
InChIKeyWSTQSJWXDOEDIE-UHFFFAOYSA-N
MW316.33 g/mol
LogP5.12
Rot. Bonds1

About 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline

2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline (PubChem CID 137425290) has the molecular formula C18H15F3N2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline
PubChem CID137425290
Molecular FormulaC18H15F3N2
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline
SMILESCc1cc(-c2ccc3cc(C(F)(F)F)ccc3n2)c(C)cc1N
InChIInChI=1S/C18H15F3N2/c1-10-8-15(22)11(2)7-14(10)17-5-3-12-9-13(18(19,20)21)4-6-16(12)23-17/h3-9H,22H2,1-2H3
InChIKeyWSTQSJWXDOEDIE-UHFFFAOYSA-N
XLogP5.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
CID 90246836
2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
CID 90246837
2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]aniline
CID 137425224
3-bromo-6-(trifluoromethyl)quinolin-2-amine
CID 97181843
6-[2-methyl-4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 102755510
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956
methyl 6-(trifluoromethyl)quinoline-2-carboxylate
CID 82245392
N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine
CID 70133978
2-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 79530408
2-methyl-6-(trifluoromethyl)quinolin-3-ol
CID 74222839
2-(4-amino-3-methylphenyl)quinolin-6-amine
CID 121321855

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline?
The IUPAC name of 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline (CID 137425290) is 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline.
What is the SMILES notation for 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline?
The canonical SMILES for 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline is Cc1cc(-c2ccc3cc(C(F)(F)F)ccc3n2)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline?
The InChIKey is WSTQSJWXDOEDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2/c1-10-8-15(22)11(2)7-14(10)17-5-3-12-9-13(18(19,20)21)4-6-16(12)23-17/h3-9H,22H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline?
2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline has a molecular weight of 316.33 g/mol, XLogP of 5.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline is sourced from PubChem (CID 137425290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).