3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine

C14H17FN2 — CID 82242928

IUPAC3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cc2cc(F)ccc2nc1C
InChIInChI=1S/C14H17FN2/c1-10-11(4-3-7-16-2)8-12-9-13(15)5-6-14(12)17-10/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyAWTBOEIZSCRYDN-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.83
Rot. Bonds4

About 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine

3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine (PubChem CID 82242928) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine
PubChem CID82242928
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cc2cc(F)ccc2nc1C
InChIInChI=1S/C14H17FN2/c1-10-11(4-3-7-16-2)8-12-9-13(15)5-6-14(12)17-10/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyAWTBOEIZSCRYDN-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-4-methylquinazolin-2-yl)-N-methylethanamine
CID 105473983
N-methyl-3-(2-methyl-8-propan-2-ylquinolin-3-yl)propan-1-amine
CID 82245549
3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884759
N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202122
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
CID 116985191
3-ethyl-6-fluoroquinolin-2-amine
CID 17039689
N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795619
5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine
CID 154970163
6-fluoro-2-methylquinoline-3-carboxamide
CID 945082
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62944820
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 107923497
4-fluoro-3-[3-(methylamino)propyl]aniline
CID 84658598

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine (CID 82242928) is 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine is CNCCCc1cc2cc(F)ccc2nc1C.
What is the InChIKey of 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine?
The InChIKey is AWTBOEIZSCRYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10-11(4-3-7-16-2)8-12-9-13(15)5-6-14(12)17-10/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine?
3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine has a molecular weight of 232.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 82242928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).