1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine

C17H25N3 — CID 61405424

IUPAC1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine
SMILESCCc1nccn1CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-5-16-19-10-11-20(16)12-15(18)13-6-8-14(9-7-13)17(2,3)4/h6-11,15H,5,12,18H2,1-4H3
InChIKeyXOKKNFBEXHXCID-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.44
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine

1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine (PubChem CID 61405424) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine
PubChem CID61405424
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine
SMILESCCc1nccn1CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-5-16-19-10-11-20(16)12-15(18)13-6-8-14(9-7-13)17(2,3)4/h6-11,15H,5,12,18H2,1-4H3
InChIKeyXOKKNFBEXHXCID-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384
2-(2-ethylimidazol-1-yl)-1-(2-methylphenyl)ethanamine
CID 61402571
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 64621169
3-[2-amino-2-(4-tert-butylphenyl)ethyl]pyrimidin-4-one
CID 63767962
(2-ethylimidazol-1-yl)methanamine
CID 122501271
1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 115475677
1-(4-tert-butylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002222
2-(2-ethylimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 109411192
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105009337
3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide
CID 77043825
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine (CID 61405424) is 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine is CCc1nccn1CC(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine?
The InChIKey is XOKKNFBEXHXCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-16-19-10-11-20(16)12-15(18)13-6-8-14(9-7-13)17(2,3)4/h6-11,15H,5,12,18H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine?
1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine is sourced from PubChem (CID 61405424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).