2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline

C18H17FN2 — CID 79031818

IUPAC2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1ccc(NCc2cc(C)nc3ccccc23)c(F)c1
InChIInChI=1S/C18H17FN2/c1-12-7-8-18(16(19)9-12)20-11-14-10-13(2)21-17-6-4-3-5-15(14)17/h3-10,20H,11H2,1-2H3
InChIKeyPMROKJAUOACEBR-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.60
Rot. Bonds3

About 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline

2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline (PubChem CID 79031818) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
PubChem CID79031818
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1ccc(NCc2cc(C)nc3ccccc23)c(F)c1
InChIInChI=1S/C18H17FN2/c1-12-7-8-18(16(19)9-12)20-11-14-10-13(2)21-17-6-4-3-5-15(14)17/h3-10,20H,11H2,1-2H3
InChIKeyPMROKJAUOACEBR-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
The IUPAC name of 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline (CID 79031818) is 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline is Cc1ccc(NCc2cc(C)nc3ccccc23)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
The InChIKey is PMROKJAUOACEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-7-8-18(16(19)9-12)20-11-14-10-13(2)21-17-6-4-3-5-15(14)17/h3-10,20H,11H2,1-2H3.
What are the key properties of 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline has a molecular weight of 280.35 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline is sourced from PubChem (CID 79031818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).