1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine

C13H15Cl2N3 — CID 105011597

IUPAC1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-16-12(8-13-17-3-4-18(13)2)9-5-10(14)7-11(15)6-9/h3-7,12,16H,8H2,1-2H3
InChIKeyFLNMKZACZARELD-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.23
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine

1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105011597) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID105011597
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-16-12(8-13-17-3-4-18(13)2)9-5-10(14)7-11(15)6-9/h3-7,12,16H,8H2,1-2H3
InChIKeyFLNMKZACZARELD-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580385
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011259
1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009539
1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011510
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011486
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011558
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107946146
1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049923
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
[1-(2,5-dichlorothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107970457

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine (CID 105011597) is 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine is CNC(Cc1nccn1C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is FLNMKZACZARELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-16-12(8-13-17-3-4-18(13)2)9-5-10(14)7-11(15)6-9/h3-7,12,16H,8H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105011597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).