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

C18H17FN2 — CID 79031822

IUPAC4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(F)cc2C)c2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-12-9-15(19)7-8-17(12)20-11-14-10-13(2)21-18-6-4-3-5-16(14)18/h3-10,20H,11H2,1-2H3
InChIKeyFREWWYPRWQIRLP-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.60
Rot. Bonds3

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

4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline (PubChem CID 79031822) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
PubChem CID79031822
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(F)cc2C)c2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-12-9-15(19)7-8-17(12)20-11-14-10-13(2)21-18-6-4-3-5-16(14)18/h3-10,20H,11H2,1-2H3
InChIKeyFREWWYPRWQIRLP-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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Related Compounds

2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233279
2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 103697091
4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031823
2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031818
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol
CID 107699881
4-bromo-3-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233016
2-[(4-fluoro-2-methylanilino)methyl]-6-methylpyridin-3-ol
CID 79163164
N-[(2-methylquinolin-4-yl)methyl]pyridin-3-amine
CID 79238376
3,4-dichloro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233028

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline (CID 79031822) is 4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline is Cc1cc(CNc2ccc(F)cc2C)c2ccccc2n1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
The InChIKey is FREWWYPRWQIRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-9-15(19)7-8-17(12)20-11-14-10-13(2)21-18-6-4-3-5-16(14)18/h3-10,20H,11H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
4-fluoro-2-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 4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline is sourced from PubChem (CID 79031822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).