2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine

C18H27N3 — CID 3062751

IUPAC2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine
SMILESCCc1nc(C)cn1C(CC)(CN(C)C)c1ccccc1
InChIInChI=1S/C18H27N3/c1-6-17-19-15(3)13-21(17)18(7-2,14-20(4)5)16-11-9-8-10-12-16/h8-13H,6-7,14H2,1-5H3
InChIKeyFLNFIECJWAGPAR-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.47
Rot. Bonds6

About 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine

2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine (PubChem CID 3062751) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine
PubChem CID3062751
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine
SMILESCCc1nc(C)cn1C(CC)(CN(C)C)c1ccccc1
InChIInChI=1S/C18H27N3/c1-6-17-19-15(3)13-21(17)18(7-2,14-20(4)5)16-11-9-8-10-12-16/h8-13H,6-7,14H2,1-5H3
InChIKeyFLNFIECJWAGPAR-UHFFFAOYSA-N
XLogP3.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine?
The IUPAC name of 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine (CID 3062751) is 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine?
The canonical SMILES for 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine is CCc1nc(C)cn1C(CC)(CN(C)C)c1ccccc1.
What is the InChIKey of 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine?
The InChIKey is FLNFIECJWAGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-17-19-15(3)13-21(17)18(7-2,14-20(4)5)16-11-9-8-10-12-16/h8-13H,6-7,14H2,1-5H3.
What are the key properties of 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine?
2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 3062751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).