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

C16H23N3 — CID 115580384

IUPAC1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3/c1-16(2,3)13-7-5-12(6-8-13)14(17)11-15-18-9-10-19(15)4/h5-10,14H,11,17H2,1-4H3
InChIKeyYMKUSRWOCRILCX-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.96
Rot. Bonds3

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

1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 115580384) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID115580384
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3/c1-16(2,3)13-7-5-12(6-8-13)14(17)11-15-18-9-10-19(15)4/h5-10,14H,11,17H2,1-4H3
InChIKeyYMKUSRWOCRILCX-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 64621169
1-(4-tert-butylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997926
2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112727320
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580385
1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 61405424
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332
1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580367
1-(4-tert-butylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999770
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
1-(4-tert-butylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002222

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 115580384) is 1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is YMKUSRWOCRILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)13-7-5-12(6-8-13)14(17)11-15-18-9-10-19(15)4/h5-10,14H,11,17H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.96, 3 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-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 115580384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).