2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine

C13H15ClN2O — CID 82575640

IUPAC2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine
SMILESCOc1ccc(CCN)c2c(Cl)cc(C)nc12
InChIInChI=1S/C13H15ClN2O/c1-8-7-10(14)12-9(5-6-15)3-4-11(17-2)13(12)16-8/h3-4,7H,5-6,15H2,1-2H3
InChIKeyKRZSPWCYQIEAOQ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.71
Rot. Bonds3

About 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine

2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine (PubChem CID 82575640) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine
PubChem CID82575640
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine
SMILESCOc1ccc(CCN)c2c(Cl)cc(C)nc12
InChIInChI=1S/C13H15ClN2O/c1-8-7-10(14)12-9(5-6-15)3-4-11(17-2)13(12)16-8/h3-4,7H,5-6,15H2,1-2H3
InChIKeyKRZSPWCYQIEAOQ-UHFFFAOYSA-N
XLogP2.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-8-methoxy-N,N,2-trimethylquinolin-4-amine
CID 82573714
4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide
CID 82573526
8-methoxy-2,5-dimethylquinolin-4-amine
CID 62202032
(8-methoxy-2,5-dimethylquinolin-4-yl)hydrazine
CID 62252641
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
5-bromo-8-methoxy-2-methylquinolin-4-amine
CID 62196790
5-bromo-4-chloro-6-methoxy-2-methylquinoline
CID 82581093
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-(2-aminoethyl)-6-chloro-8-methoxy-N,N,5-trimethylquinolin-4-amine
CID 82251230
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
4-[4,6-dichloro-2-(8-methoxy-2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3449865
4-(5,6,8-trichloro-2-methylquinolin-4-yl)butan-1-amine
CID 82577824

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine?
The IUPAC name of 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine (CID 82575640) is 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine is COc1ccc(CCN)c2c(Cl)cc(C)nc12.
What is the InChIKey of 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine?
The InChIKey is KRZSPWCYQIEAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8-7-10(14)12-9(5-6-15)3-4-11(17-2)13(12)16-8/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine?
2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine has a molecular weight of 250.73 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine is sourced from PubChem (CID 82575640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).