1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine

C17H14Cl2N2 — CID 115604968

IUPAC1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccc(Cl)cc1Cl)c1cccc2ncccc12
InChIInChI=1S/C17H14Cl2N2/c1-20-17(14-8-7-11(18)10-15(14)19)13-4-2-6-16-12(13)5-3-9-21-16/h2-10,17,20H,1H3
InChIKeyHMVWMJXXIXSUJK-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.85
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine

1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine (PubChem CID 115604968) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
PubChem CID115604968
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccc(Cl)cc1Cl)c1cccc2ncccc12
InChIInChI=1S/C17H14Cl2N2/c1-20-17(14-8-7-11(18)10-15(14)19)13-4-2-6-16-12(13)5-3-9-21-16/h2-10,17,20H,1H3
InChIKeyHMVWMJXXIXSUJK-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020044
1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 107994637
[(2,4-dichlorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326912
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020092
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 78917800
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110
1-(2,4-dichlorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 61270437
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81210403
1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105396938
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-5-ylmethanamine
CID 105155662

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine (CID 115604968) is 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine is CNC(c1ccc(Cl)cc1Cl)c1cccc2ncccc12.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The InChIKey is HMVWMJXXIXSUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-20-17(14-8-7-11(18)10-15(14)19)13-4-2-6-16-12(13)5-3-9-21-16/h2-10,17,20H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine has a molecular weight of 317.22 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 115604968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).