1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine

C12H13ClN2 — CID 82242197

IUPAC1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine
SMILESCNCc1cc2cccc(Cl)c2nc1C
InChIInChI=1S/C12H13ClN2/c1-8-10(7-14-2)6-9-4-3-5-11(13)12(9)15-8/h3-6,14H,7H2,1-2H3
InChIKeyFXOIAKILYYQJOY-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.92
Rot. Bonds2

About 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine

1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine (PubChem CID 82242197) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine
PubChem CID82242197
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine
SMILESCNCc1cc2cccc(Cl)c2nc1C
InChIInChI=1S/C12H13ClN2/c1-8-10(7-14-2)6-9-4-3-5-11(13)12(9)15-8/h3-6,14H,7H2,1-2H3
InChIKeyFXOIAKILYYQJOY-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-chloro-2-methylquinolin-3-yl)acetic acid
CID 164563362
2,8-dichloro-3-propylquinoline
CID 63531217
8-chloro-N-ethyl-3-propylquinolin-2-amine
CID 55224873
8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline
CID 69044074
8-chloro-3-ethyl-2-propylquinoline
CID 12935082
N-methyl-1-(3-methylnaphthalen-2-yl)methanamine
CID 90797277
1-(6,8-dimethoxy-2-methylquinolin-3-yl)-N-methylmethanamine
CID 82244248
N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105349880
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
N-methyl-3-(2-methyl-8-propan-2-ylquinolin-3-yl)propan-1-amine
CID 82245549
1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193731
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine (CID 82242197) is 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine is CNCc1cc2cccc(Cl)c2nc1C.
What is the InChIKey of 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine?
The InChIKey is FXOIAKILYYQJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-8-10(7-14-2)6-9-4-3-5-11(13)12(9)15-8/h3-6,14H,7H2,1-2H3.
What are the key properties of 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine?
1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine has a molecular weight of 220.70 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 82242197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).