3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine

C15H18F2N2 — CID 82577098

IUPAC3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(CC(C)(C)CN)c2c(F)ccc(F)c2n1
InChIInChI=1S/C15H18F2N2/c1-9-6-10(7-15(2,3)8-18)13-11(16)4-5-12(17)14(13)19-9/h4-6H,7-8,18H2,1-3H3
InChIKeyKTMANPKHPZLDJC-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.35
Rot. Bonds3

About 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine

3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine (PubChem CID 82577098) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
PubChem CID82577098
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(CC(C)(C)CN)c2c(F)ccc(F)c2n1
InChIInChI=1S/C15H18F2N2/c1-9-6-10(7-15(2,3)8-18)13-11(16)4-5-12(17)14(13)19-9/h4-6H,7-8,18H2,1-3H3
InChIKeyKTMANPKHPZLDJC-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,8-dichloro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
CID 82577122
4-(5,8-difluoro-2-methylquinolin-4-yl)butan-1-amine
CID 82577793
3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577151
3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577142
3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577016
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine
CID 82577030
5,8-difluoro-2-methylquinoline-4-carboxamide
CID 82574050
2-tert-butyl-5,8-difluoroquinolin-4-amine
CID 62203255
3-(6-fluoro-4-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577025
(8-fluoro-2,5-dimethylquinolin-4-yl)hydrazine
CID 62252255
2-tert-butyl-8-fluoro-5-methylquinolin-4-amine
CID 55045601

Frequently Asked Questions

What is the IUPAC name of 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine (CID 82577098) is 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine is Cc1cc(CC(C)(C)CN)c2c(F)ccc(F)c2n1.
What is the InChIKey of 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is KTMANPKHPZLDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-9-6-10(7-15(2,3)8-18)13-11(16)4-5-12(17)14(13)19-9/h4-6H,7-8,18H2,1-3H3.
What are the key properties of 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine?
3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82577098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).