1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

C15H20ClN3 — CID 105012407

IUPAC1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(Cl)ccc1C
InChIInChI=1S/C15H20ClN3/c1-3-7-19-8-6-18-15(19)10-14(17)13-9-12(16)5-4-11(13)2/h4-6,8-9,14H,3,7,10,17H2,1-2H3
InChIKeyYKUCFXFYBPKHKA-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.50
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012407) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012407
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(Cl)ccc1C
InChIInChI=1S/C15H20ClN3/c1-3-7-19-8-6-18-15(19)10-14(17)13-9-12(16)5-4-11(13)2/h4-6,8-9,14H,3,7,10,17H2,1-2H3
InChIKeyYKUCFXFYBPKHKA-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 114885900
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009189
1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167678
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 79751964
1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752627
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012377
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105012407) is 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is YKUCFXFYBPKHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-7-19-8-6-18-15(19)10-14(17)13-9-12(16)5-4-11(13)2/h4-6,8-9,14H,3,7,10,17H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).