1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine

C18H17FN2 — CID 78978650

IUPAC1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-13-10-15(17-4-2-3-5-18(17)21-13)12-20-11-14-6-8-16(19)9-7-14/h2-10,20H,11-12H2,1H3
InChIKeyJHOXBGLTSCALGM-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.97
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine

1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine (PubChem CID 78978650) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
PubChem CID78978650
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-13-10-15(17-4-2-3-5-18(17)21-13)12-20-11-14-6-8-16(19)9-7-14/h2-10,20H,11-12H2,1H3
InChIKeyJHOXBGLTSCALGM-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652
4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031822
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 103697091
2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233279
1-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
CID 17289839
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728
1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78921551
1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 78943729
1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748158
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine (CID 78978650) is 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine is Cc1cc(CNCc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The InChIKey is JHOXBGLTSCALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-13-10-15(17-4-2-3-5-18(17)21-13)12-20-11-14-6-8-16(19)9-7-14/h2-10,20H,11-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine has a molecular weight of 280.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine is sourced from PubChem (CID 78978650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).