N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine

C14H17Cl2N3 — CID 54980096

IUPACN-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)c1nccn1CC
InChIInChI=1S/C14H17Cl2N3/c1-3-17-13(14-18-7-8-19(14)4-2)11-6-5-10(15)9-12(11)16/h5-9,13,17H,3-4H2,1-2H3
InChIKeyRYIXUTYEYMUGFC-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.91
Rot. Bonds5

About N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine

N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine (PubChem CID 54980096) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
PubChem CID54980096
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC NameN-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)c1nccn1CC
InChIInChI=1S/C14H17Cl2N3/c1-3-17-13(14-18-7-8-19(14)4-2)11-6-5-10(15)9-12(11)16/h5-9,13,17H,3-4H2,1-2H3
InChIKeyRYIXUTYEYMUGFC-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411
N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79780571
[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105215277
1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61316350
N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006477
N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82890952
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
4-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149884
N-[(1-ethylimidazol-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 104672104
N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 63968753
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine (CID 54980096) is N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1Cl)c1nccn1CC.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is RYIXUTYEYMUGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-3-17-13(14-18-7-8-19(14)4-2)11-6-5-10(15)9-12(11)16/h5-9,13,17H,3-4H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 54980096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).