1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

C15H19Cl2N3 — CID 105012439

IUPAC1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-3-7-20-8-6-19-15(20)10-14(18-2)12-5-4-11(16)9-13(12)17/h4-6,8-9,14,18H,3,7,10H2,1-2H3
InChIKeyJYBOMOZDMHEBKZ-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.10
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012439) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012439
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-3-7-20-8-6-19-15(20)10-14(18-2)12-5-4-11(16)9-13(12)17/h4-6,8-9,14,18H,3,7,10H2,1-2H3
InChIKeyJYBOMOZDMHEBKZ-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79780317
1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79752703
[1-(2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105211188
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012339
1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752627
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789
1-(2,4-dichlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105002097
[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323392
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(2-chloro-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 106859395

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (CID 105012439) is 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is JYBOMOZDMHEBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-3-7-20-8-6-19-15(20)10-14(18-2)12-5-4-11(16)9-13(12)17/h4-6,8-9,14,18H,3,7,10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 312.24 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).