2-methyl-4-(trifluoromethyl)quinolin-7-amine

C11H9F3N2 — CID 58489039

IUPAC2-methyl-4-(trifluoromethyl)quinolin-7-amine
SMILESCc1cc(C(F)(F)F)c2ccc(N)cc2n1
InChIInChI=1S/C11H9F3N2/c1-6-4-9(11(12,13)14)8-3-2-7(15)5-10(8)16-6/h2-5H,15H2,1H3
InChIKeyKWOVTCULJJUZGM-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.14
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)quinolin-7-amine

2-methyl-4-(trifluoromethyl)quinolin-7-amine (PubChem CID 58489039) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)quinolin-7-amine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)quinolin-7-amine
PubChem CID58489039
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name2-methyl-4-(trifluoromethyl)quinolin-7-amine
SMILESCc1cc(C(F)(F)F)c2ccc(N)cc2n1
InChIInChI=1S/C11H9F3N2/c1-6-4-9(11(12,13)14)8-3-2-7(15)5-10(8)16-6/h2-5H,15H2,1H3
InChIKeyKWOVTCULJJUZGM-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.14
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

7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane
CID 161419030
4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline
CID 172651572
1,3-dimethylisoquinolin-7-amine
CID 174772287
3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane
CID 164557661
1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 44822581
4-methylquinazolin-7-amine
CID 90920738
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
CID 82574068
4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-3-(trifluoromethyl)aniline
CID 102924701
2-(4-amino-2-methylphenyl)-7-(trifluoromethyl)-1,3-benzoxazol-5-amine
CID 163612515
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106
2-methyl-4-methylsulfanylquinolin-6-amine
CID 18007705
N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)quinolin-7-amine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)quinolin-7-amine (CID 58489039) is 2-methyl-4-(trifluoromethyl)quinolin-7-amine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)quinolin-7-amine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)quinolin-7-amine is Cc1cc(C(F)(F)F)c2ccc(N)cc2n1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)quinolin-7-amine?
The InChIKey is KWOVTCULJJUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-6-4-9(11(12,13)14)8-3-2-7(15)5-10(8)16-6/h2-5H,15H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)quinolin-7-amine?
2-methyl-4-(trifluoromethyl)quinolin-7-amine has a molecular weight of 226.20 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)quinolin-7-amine is sourced from PubChem (CID 58489039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).