3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine

C13H12F4N2 — CID 106293889

IUPAC3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCC(F)(F)C(F)F
InChIInChI=1S/C13H12F4N2/c1-8-6-9-4-2-3-5-10(9)19-11(8)18-7-13(16,17)12(14)15/h2-6,12H,7H2,1H3,(H,18,19)
InChIKeyKXZMFNZUEYJDDV-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.86
Rot. Bonds4

About 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine

3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine (PubChem CID 106293889) has the molecular formula C13H12F4N2 and a molecular weight of 272.25 g/mol. Its IUPAC name is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
PubChem CID106293889
Molecular FormulaC13H12F4N2
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCC(F)(F)C(F)F
InChIInChI=1S/C13H12F4N2/c1-8-6-9-4-2-3-5-10(9)19-11(8)18-7-13(16,17)12(14)15/h2-6,12H,7H2,1H3,(H,18,19)
InChIKeyKXZMFNZUEYJDDV-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
CID 106287148
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
CID 115764309
3-methyl-N-(7-methyloctyl)quinolin-2-amine
CID 107816294
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106296095
4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
CID 106350873
N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
CID 106154673
N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine
CID 63229190
1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol
CID 63296727
3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine
CID 63229105

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine?
The IUPAC name of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine (CID 106293889) is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine.
What is the SMILES notation for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine?
The canonical SMILES for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine is Cc1cc2ccccc2nc1NCC(F)(F)C(F)F.
What is the InChIKey of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine?
The InChIKey is KXZMFNZUEYJDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2/c1-8-6-9-4-2-3-5-10(9)19-11(8)18-7-13(16,17)12(14)15/h2-6,12H,7H2,1H3,(H,18,19).
What are the key properties of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine?
3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine has a molecular weight of 272.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine is sourced from PubChem (CID 106293889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).