2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine

C14H19N3 — CID 82288554

IUPAC2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine
SMILESCC(C)c1nc(-c2ccccc2)c(CCN)[nH]1
InChIInChI=1S/C14H19N3/c1-10(2)14-16-12(8-9-15)13(17-14)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3,(H,16,17)
InChIKeyFRMOESGYTXSYBJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine

2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine (PubChem CID 82288554) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine
PubChem CID82288554
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine
SMILESCC(C)c1nc(-c2ccccc2)c(CCN)[nH]1
InChIInChI=1S/C14H19N3/c1-10(2)14-16-12(8-9-15)13(17-14)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3,(H,16,17)
InChIKeyFRMOESGYTXSYBJ-UHFFFAOYSA-N
XLogP2.70
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine (CID 82288554) is 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine is CC(C)c1nc(-c2ccccc2)c(CCN)[nH]1.
What is the InChIKey of 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine?
The InChIKey is FRMOESGYTXSYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)14-16-12(8-9-15)13(17-14)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine?
2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 82288554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).