1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine

C18H17FN2 — CID 105021150

IUPAC1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine
SMILESCNC(c1ccc(C)cc1F)c1cccc2cccnc12
InChIInChI=1S/C18H17FN2/c1-12-8-9-14(16(19)11-12)18(20-2)15-7-3-5-13-6-4-10-21-17(13)15/h3-11,18,20H,1-2H3
InChIKeyBZDKILVVRLCYPV-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.99
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine

1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine (PubChem CID 105021150) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine
PubChem CID105021150
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine
SMILESCNC(c1ccc(C)cc1F)c1cccc2cccnc12
InChIInChI=1S/C18H17FN2/c1-12-8-9-14(16(19)11-12)18(20-2)15-7-3-5-13-6-4-10-21-17(13)15/h3-11,18,20H,1-2H3
InChIKeyBZDKILVVRLCYPV-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 81229518
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443
[(2,4-dimethylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105304674
7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475105
N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172541
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-8-ylmethanamine
CID 106755698
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine
CID 105155395
1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105143729
1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006295
N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine
CID 105021332
[(3-methylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105200639
N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
CID 105172471

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine (CID 105021150) is 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine is CNC(c1ccc(C)cc1F)c1cccc2cccnc12.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine?
The InChIKey is BZDKILVVRLCYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-8-9-14(16(19)11-12)18(20-2)15-7-3-5-13-6-4-10-21-17(13)15/h3-11,18,20H,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine?
1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine has a molecular weight of 280.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 105021150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).