1-(4-chloro-2-methylquinolin-8-yl)ethanamine

C12H13ClN2 — CID 82575844

IUPAC1-(4-chloro-2-methylquinolin-8-yl)ethanamine
SMILESCc1cc(Cl)c2cccc(C(C)N)c2n1
InChIInChI=1S/C12H13ClN2/c1-7-6-11(13)10-5-3-4-9(8(2)14)12(10)15-7/h3-6,8H,14H2,1-2H3
InChIKeyLIPMVTZXCLOQKY-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.22
Rot. Bonds1

About 1-(4-chloro-2-methylquinolin-8-yl)ethanamine

1-(4-chloro-2-methylquinolin-8-yl)ethanamine (PubChem CID 82575844) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-(4-chloro-2-methylquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methylquinolin-8-yl)ethanamine
PubChem CID82575844
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-(4-chloro-2-methylquinolin-8-yl)ethanamine
SMILESCc1cc(Cl)c2cccc(C(C)N)c2n1
InChIInChI=1S/C12H13ClN2/c1-7-6-11(13)10-5-3-4-9(8(2)14)12(10)15-7/h3-6,8H,14H2,1-2H3
InChIKeyLIPMVTZXCLOQKY-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 82575830
1-(8-chloro-2-methylquinolin-4-yl)ethanol
CID 82576032
1-(8-ethoxy-2-methylquinolin-4-yl)ethanamine
CID 82575817
4-chloro-2-methylquinoline-8-carboximidamide
CID 82573524
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine
CID 130645436
4,7-dichloro-8-fluoro-2-methylquinoline
CID 43668400
4-chloro-8-methyl-2-propan-2-ylquinoline
CID 43668842
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
2,4-dichloro-8-methylquinoline
CID 2748593
1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
CID 58368472
2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline
CID 22113156

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylquinolin-8-yl)ethanamine?
The IUPAC name of 1-(4-chloro-2-methylquinolin-8-yl)ethanamine (CID 82575844) is 1-(4-chloro-2-methylquinolin-8-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2-methylquinolin-8-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-2-methylquinolin-8-yl)ethanamine is Cc1cc(Cl)c2cccc(C(C)N)c2n1.
What is the InChIKey of 1-(4-chloro-2-methylquinolin-8-yl)ethanamine?
The InChIKey is LIPMVTZXCLOQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7-6-11(13)10-5-3-4-9(8(2)14)12(10)15-7/h3-6,8H,14H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylquinolin-8-yl)ethanamine?
1-(4-chloro-2-methylquinolin-8-yl)ethanamine has a molecular weight of 220.70 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylquinolin-8-yl)ethanamine is sourced from PubChem (CID 82575844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).