1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine

C18H27N3 — CID 105011445

IUPAC1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H27N3/c1-6-19-16(13-17-20-11-12-21(17)5)14-9-7-8-10-15(14)18(2,3)4/h7-12,16,19H,6,13H2,1-5H3
InChIKeyNOHLBXWTQRXTLB-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine

1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105011445) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID105011445
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H27N3/c1-6-19-16(13-17-20-11-12-21(17)5)14-9-7-8-10-15(14)18(2,3)4/h7-12,16,19H,6,13H2,1-5H3
InChIKeyNOHLBXWTQRXTLB-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylethanamine
CID 105167077
1-(2,3-dichlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011522
N-ethyl-1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167171
1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751985
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819265
N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329611
[1-(2-ethoxyphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105260833
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009550
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105167045
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine (CID 105011445) is 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine is CCNC(Cc1nccn1C)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is NOHLBXWTQRXTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-19-16(13-17-20-11-12-21(17)5)14-9-7-8-10-15(14)18(2,3)4/h7-12,16,19H,6,13H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105011445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).