2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine

C20H27N — CID 60818981

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(N)c1ccccc1
InChIInChI=1S/C20H27N/c1-14-11-17(20(3,4)5)12-15(2)18(14)13-19(21)16-9-7-6-8-10-16/h6-12,19H,13,21H2,1-5H3
InChIKeyHTNRMXKUJGMLSX-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.84
Rot. Bonds3

About 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine

2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine (PubChem CID 60818981) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine
PubChem CID60818981
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(N)c1ccccc1
InChIInChI=1S/C20H27N/c1-14-11-17(20(3,4)5)12-15(2)18(14)13-19(21)16-9-7-6-8-10-16/h6-12,19H,13,21H2,1-5H3
InChIKeyHTNRMXKUJGMLSX-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549860
1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 55188112
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine
CID 79189836
2-[[(R)-benzylsulfinyl]methyl]-5-tert-butyl-1,3-dimethylbenzene
CID 52504942
1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine
CID 63413266
1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549147
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
[1-(4-tert-butyl-2,6-dimethylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105197851

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine (CID 60818981) is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine is Cc1cc(C(C)(C)C)cc(C)c1CC(N)c1ccccc1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine?
The InChIKey is HTNRMXKUJGMLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14-11-17(20(3,4)5)12-15(2)18(14)13-19(21)16-9-7-6-8-10-16/h6-12,19H,13,21H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine?
2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine is sourced from PubChem (CID 60818981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).