1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine

C16H22ClN3 — CID 105009096

IUPAC1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-4-18-15(11-16-19-6-7-20(16)5-2)13-8-12(3)9-14(17)10-13/h6-10,15,18H,4-5,11H2,1-3H3
InChIKeyGZTCAMUZJHTRFR-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.76
Rot. Bonds6

About 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine

1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 105009096) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
PubChem CID105009096
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-4-18-15(11-16-19-6-7-20(16)5-2)13-8-12(3)9-14(17)10-13/h6-10,15,18H,4-5,11H2,1-3H3
InChIKeyGZTCAMUZJHTRFR-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009539
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 79751877
[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308375
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105165788
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105165931
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105009083
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 81315675
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine (CID 105009096) is 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine is CCNC(Cc1nccn1CC)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is GZTCAMUZJHTRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-18-15(11-16-19-6-7-20(16)5-2)13-8-12(3)9-14(17)10-13/h6-10,15,18H,4-5,11H2,1-3H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 291.83 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105009096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).