2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine

C13H15ClN2 — CID 82575558

IUPAC2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine
SMILESCc1ccc(Cl)c2c(C)cc(CCN)nc12
InChIInChI=1S/C13H15ClN2/c1-8-3-4-11(14)12-9(2)7-10(5-6-15)16-13(8)12/h3-4,7H,5-6,15H2,1-2H3
InChIKeyJRQWVTIXNLJJPD-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.01
Rot. Bonds2

About 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine

2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine (PubChem CID 82575558) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine
PubChem CID82575558
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine
SMILESCc1ccc(Cl)c2c(C)cc(CCN)nc12
InChIInChI=1S/C13H15ClN2/c1-8-3-4-11(14)12-9(2)7-10(5-6-15)16-13(8)12/h3-4,7H,5-6,15H2,1-2H3
InChIKeyJRQWVTIXNLJJPD-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576607
2-(8-chloro-4-methylquinolin-2-yl)ethanamine
CID 82575547
3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide
CID 82578414
2-(6-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575556
5-chloro-N,N,8-trimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine
CID 82248707
1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone
CID 82576214
4,5-dichloro-8-methyl-2-(trichloromethyl)quinoline
CID 23313791
(5-chloro-3,8-dimethylquinolin-2-yl)methanamine
CID 82242202
2-tert-butyl-5-chloro-8-methylquinolin-4-amine
CID 62202543
4-chloro-3-iodo-7-methyl-2H-indazole
CID 171662341
4,5-dichloro-8-methyl-2-propan-2-ylquinoline
CID 43668547
2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574937

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine (CID 82575558) is 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine is Cc1ccc(Cl)c2c(C)cc(CCN)nc12.
What is the InChIKey of 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine?
The InChIKey is JRQWVTIXNLJJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-8-3-4-11(14)12-9(2)7-10(5-6-15)16-13(8)12/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine?
2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine has a molecular weight of 234.73 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine is sourced from PubChem (CID 82575558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).