3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine

C13H15FN2 — CID 82576579

IUPAC3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine
SMILESCc1ccnc2c(CCCN)cc(F)cc12
InChIInChI=1S/C13H15FN2/c1-9-4-6-16-13-10(3-2-5-15)7-11(14)8-12(9)13/h4,6-8H,2-3,5,15H2,1H3
InChIKeyPJONCKGBFVPCQA-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.57
Rot. Bonds3

About 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine

3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine (PubChem CID 82576579) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine
PubChem CID82576579
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC Name3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine
SMILESCc1ccnc2c(CCCN)cc(F)cc12
InChIInChI=1S/C13H15FN2/c1-9-4-6-16-13-10(3-2-5-15)7-11(14)8-12(9)13/h4,6-8H,2-3,5,15H2,1H3
InChIKeyPJONCKGBFVPCQA-UHFFFAOYSA-N
XLogP2.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoro-4-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577025
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
3-(6-fluoroquinolin-8-yl)propan-1-amine
CID 82576719
4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine
CID 82577711
2-(6-chloro-4-methylquinolin-8-yl)ethanamine
CID 82575531
8-(difluoromethyl)-6-fluoro-4-methylquinoline;ethane
CID 177201430
3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine
CID 83886567
3-(8-fluoro-4-methylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577023
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
4-N-(6-fluoro-4-methylquinolin-8-yl)pentane-1,4-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 70606780
4-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288653
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine?
The IUPAC name of 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine (CID 82576579) is 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine.
What is the SMILES notation for 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine?
The canonical SMILES for 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine is Cc1ccnc2c(CCCN)cc(F)cc12.
What is the InChIKey of 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine?
The InChIKey is PJONCKGBFVPCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9-4-6-16-13-10(3-2-5-15)7-11(14)8-12(9)13/h4,6-8H,2-3,5,15H2,1H3.
What are the key properties of 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine?
3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine has a molecular weight of 218.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine is sourced from PubChem (CID 82576579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).