3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine

C15H19FN2 — CID 82577030

IUPAC3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(CC(C)(C)CN)nc2c(F)cccc12
InChIInChI=1S/C15H19FN2/c1-10-7-11(8-15(2,3)9-17)18-14-12(10)5-4-6-13(14)16/h4-7H,8-9,17H2,1-3H3
InChIKeyYIVSWTRQJGTOLL-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.21
Rot. Bonds3

About 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine

3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine (PubChem CID 82577030) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine
PubChem CID82577030
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(CC(C)(C)CN)nc2c(F)cccc12
InChIInChI=1S/C15H19FN2/c1-10-7-11(8-15(2,3)9-17)18-14-12(10)5-4-6-13(14)16/h4-7H,8-9,17H2,1-3H3
InChIKeyYIVSWTRQJGTOLL-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine (CID 82577030) is 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine is Cc1cc(CC(C)(C)CN)nc2c(F)cccc12.
What is the InChIKey of 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is YIVSWTRQJGTOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-7-11(8-15(2,3)9-17)18-14-12(10)5-4-6-13(14)16/h4-7H,8-9,17H2,1-3H3.
What are the key properties of 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine?
3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 246.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82577030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).