2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine

C14H19N3 — CID 114990789

IUPAC2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine
SMILESCCc1nc(C(CN)c2ccccc2)[nH]c1C
InChIInChI=1S/C14H19N3/c1-3-13-10(2)16-14(17-13)12(9-15)11-7-5-4-6-8-11/h4-8,12H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyGWJFBYXYSPCSGK-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine

2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine (PubChem CID 114990789) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine
PubChem CID114990789
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine
SMILESCCc1nc(C(CN)c2ccccc2)[nH]c1C
InChIInChI=1S/C14H19N3/c1-3-13-10(2)16-14(17-13)12(9-15)11-7-5-4-6-8-11/h4-8,12H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyGWJFBYXYSPCSGK-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethyl-5-propyl-1H-imidazol-2-yl)-phenylmethanamine
CID 43651576
(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 94888605
methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate
CID 102970303
4-ethyl-5-methyl-1H-imidazol-2-amine
CID 64981566
2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 62877346
1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine
CID 43650594
ethanamine;1-phenylethylbenzene
CID 19985218
2-phenyl-2-(5-propyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 62882962
2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine
CID 82501486
2-phenyl-2-(5-pyridin-2-yl-1H-imidazol-2-yl)ethanamine
CID 62878389
2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 62878746
N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63761958

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine?
The IUPAC name of 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine (CID 114990789) is 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine is CCc1nc(C(CN)c2ccccc2)[nH]c1C.
What is the InChIKey of 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine?
The InChIKey is GWJFBYXYSPCSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-13-10(2)16-14(17-13)12(9-15)11-7-5-4-6-8-11/h4-8,12H,3,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine?
2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 114990789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).