4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine

C18H16F3N3O — CID 60502890

IUPAC4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine
SMILESCc1cc(NCc2ccc(OCC(F)(F)F)nc2)nc2ccccc12
InChIInChI=1S/C18H16F3N3O/c1-12-8-16(24-15-5-3-2-4-14(12)15)22-9-13-6-7-17(23-10-13)25-11-18(19,20)21/h2-8,10H,9,11H2,1H3,(H,22,24)
InChIKeyXKSSFTINSKWINT-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.49
Rot. Bonds5

About 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine

4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine (PubChem CID 60502890) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine
PubChem CID60502890
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine
SMILESCc1cc(NCc2ccc(OCC(F)(F)F)nc2)nc2ccccc12
InChIInChI=1S/C18H16F3N3O/c1-12-8-16(24-15-5-3-2-4-14(12)15)22-9-13-6-7-17(23-10-13)25-11-18(19,20)21/h2-8,10H,9,11H2,1H3,(H,22,24)
InChIKeyXKSSFTINSKWINT-UHFFFAOYSA-N
XLogP4.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 60503130
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 56815275
N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
CID 60502755
5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60502958
2-methyl-1-(2-phenylethyl)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111136248
3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 174836820
2-methyl-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111268061
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine
CID 63228854
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111183950
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842
N'-methyl-4-phenyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine-1-carboximidamide
CID 110960663

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine?
The IUPAC name of 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine (CID 60502890) is 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine.
What is the SMILES notation for 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine?
The canonical SMILES for 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine is Cc1cc(NCc2ccc(OCC(F)(F)F)nc2)nc2ccccc12.
What is the InChIKey of 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine?
The InChIKey is XKSSFTINSKWINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-12-8-16(24-15-5-3-2-4-14(12)15)22-9-13-6-7-17(23-10-13)25-11-18(19,20)21/h2-8,10H,9,11H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine?
4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine has a molecular weight of 347.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine is sourced from PubChem (CID 60502890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).