1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine

C13H14F2N2 — CID 82577565

IUPAC1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine
SMILESCc1cc(CC(C)N)c2cc(F)cc(F)c2n1
InChIInChI=1S/C13H14F2N2/c1-7(16)3-9-4-8(2)17-13-11(9)5-10(14)6-12(13)15/h4-7H,3,16H2,1-2H3
InChIKeyUKINQURTQZDXRW-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.71
Rot. Bonds2

About 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine

1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine (PubChem CID 82577565) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine
PubChem CID82577565
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine
SMILESCc1cc(CC(C)N)c2cc(F)cc(F)c2n1
InChIInChI=1S/C13H14F2N2/c1-7(16)3-9-4-8(2)17-13-11(9)5-10(14)6-12(13)15/h4-7H,3,16H2,1-2H3
InChIKeyUKINQURTQZDXRW-UHFFFAOYSA-N
XLogP2.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6,8-difluoro-2-methylquinolin-4-yl)methanamine
CID 82507508
6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190
1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine
CID 82575777
1-(7-fluoroisoquinolin-5-yl)propan-2-amine
CID 82577419
1-(8-fluoro-2-methylquinolin-6-yl)propan-2-amine
CID 82577470
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine
CID 82577442
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine
CID 82577827
4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine
CID 82577711
6-fluoro-2,8-dimethylquinolin-4-amine
CID 54772876

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine?
The IUPAC name of 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine (CID 82577565) is 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine.
What is the SMILES notation for 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine?
The canonical SMILES for 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine is Cc1cc(CC(C)N)c2cc(F)cc(F)c2n1.
What is the InChIKey of 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine?
The InChIKey is UKINQURTQZDXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-7(16)3-9-4-8(2)17-13-11(9)5-10(14)6-12(13)15/h4-7H,3,16H2,1-2H3.
What are the key properties of 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine?
1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine has a molecular weight of 236.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine is sourced from PubChem (CID 82577565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).