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

C15H20ClN3 — CID 105009539

IUPAC1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1CC(NC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-4-19-6-5-18-15(19)10-14(17-3)12-7-11(2)8-13(16)9-12/h5-9,14,17H,4,10H2,1-3H3
InChIKeyITUNZQKECNZHOD-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.37
Rot. Bonds5

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

1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (PubChem CID 105009539) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
PubChem CID105009539
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1CC(NC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-4-19-6-5-18-15(19)10-14(17-3)12-7-11(2)8-13(16)9-12/h5-9,14,17H,4,10H2,1-3H3
InChIKeyITUNZQKECNZHOD-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009096
2-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105009117
1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79752703
1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011597
1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009485
[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308375
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009061
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 79751877
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (CID 105009539) is 1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is CCn1ccnc1CC(NC)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The InChIKey is ITUNZQKECNZHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-19-6-5-18-15(19)10-14(17-3)12-7-11(2)8-13(16)9-12/h5-9,14,17H,4,10H2,1-3H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.37, 5 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)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 105009539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).