1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine

C17H24ClN3 — CID 79752002

IUPAC1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(Cc1ccc(Cl)cc1)NCC
InChIInChI=1S/C17H24ClN3/c1-3-10-21-11-9-20-17(21)13-16(19-4-2)12-14-5-7-15(18)8-6-14/h5-9,11,16,19H,3-4,10,12-13H2,1-2H3
InChIKeyZHILVCYCIYKQAI-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.71
Rot. Bonds8

About 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine

1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 79752002) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID79752002
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(Cc1ccc(Cl)cc1)NCC
InChIInChI=1S/C17H24ClN3/c1-3-10-21-11-9-20-17(21)13-16(19-4-2)12-14-5-7-15(18)8-6-14/h5-9,11,16,19H,3-4,10,12-13H2,1-2H3
InChIKeyZHILVCYCIYKQAI-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751530
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79752901
1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105167751
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752060
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine (CID 79752002) is 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(Cc1ccc(Cl)cc1)NCC.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is ZHILVCYCIYKQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-3-10-21-11-9-20-17(21)13-16(19-4-2)12-14-5-7-15(18)8-6-14/h5-9,11,16,19H,3-4,10,12-13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79752002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).