1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine

C17H14Cl2N2 — CID 115797603

IUPAC1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCNC(c1cnc2ccccc2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N2/c1-20-17(14-9-13(18)6-7-15(14)19)12-8-11-4-2-3-5-16(11)21-10-12/h2-10,17,20H,1H3
InChIKeyCGTXYFBILMJLOQ-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.85
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine

1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine (PubChem CID 115797603) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
PubChem CID115797603
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCNC(c1cnc2ccccc2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N2/c1-20-17(14-9-13(18)6-7-15(14)19)12-8-11-4-2-3-5-16(11)21-10-12/h2-10,17,20H,1H3
InChIKeyCGTXYFBILMJLOQ-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

N-methyl-1-(2-methylphenyl)-1-quinolin-3-ylmethanamine
CID 60924531
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103444108
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 81268272
1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 60923508
1-(2,5-dimethylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798284
[(4-chloro-2-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105217884
1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486642
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
CID 105097381
(2-chlorophenyl)-quinolin-3-ylmethanol
CID 62099090
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865
1-(6-methoxypyridazin-3-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103374160
1-(2,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 63502238

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine (CID 115797603) is 1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine is CNC(c1cnc2ccccc2c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine?
The InChIKey is CGTXYFBILMJLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-20-17(14-9-13(18)6-7-15(14)19)12-8-11-4-2-3-5-16(11)21-10-12/h2-10,17,20H,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine?
1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-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-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine is sourced from PubChem (CID 115797603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).