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

C17H25N3 — CID 105009550

IUPAC1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H25N3/c1-5-20-11-10-19-16(20)12-15(18)13-8-6-7-9-14(13)17(2,3)4/h6-11,15H,5,12,18H2,1-4H3
InChIKeyAQUGXIHMCCKUSX-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.44
Rot. Bonds4

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

1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 105009550) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
PubChem CID105009550
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H25N3/c1-5-20-11-10-19-16(20)12-15(18)13-8-6-7-9-14(13)17(2,3)4/h6-11,15H,5,12,18H2,1-4H3
InChIKeyAQUGXIHMCCKUSX-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-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819265
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898
1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009189
1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 114885900
1-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79752940
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 79751964
2-(1-ethylimidazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357294
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine
CID 79752293
1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011445

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine (CID 105009550) is 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine is CCn1ccnc1CC(N)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is AQUGXIHMCCKUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-20-11-10-19-16(20)12-15(18)13-8-6-7-9-14(13)17(2,3)4/h6-11,15H,5,12,18H2,1-4H3.
What are the key properties of 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-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-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105009550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).