2-(4-tert-butylphenyl)ethanamine

C12H19N — CID 2735689

IUPAC2-(4-tert-butylphenyl)ethanamine
SMILESCC(C)(C)c1ccc(CCN)cc1
InChIInChI=1S/C12H19N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8-9,13H2,1-3H3
InChIKeyWKCZSFRAGKIIKN-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.49
Rot. Bonds2

About 2-(4-tert-butylphenyl)ethanamine

2-(4-tert-butylphenyl)ethanamine (PubChem CID 2735689) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)ethanamine
PubChem CID2735689
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(4-tert-butylphenyl)ethanamine
SMILESCC(C)(C)c1ccc(CCN)cc1
InChIInChI=1S/C12H19N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8-9,13H2,1-3H3
InChIKeyWKCZSFRAGKIIKN-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)ethanamine (CID 2735689) is 2-(4-tert-butylphenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)ethanamine is CC(C)(C)c1ccc(CCN)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)ethanamine?
The InChIKey is WKCZSFRAGKIIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8-9,13H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)ethanamine?
2-(4-tert-butylphenyl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)ethanamine is sourced from PubChem (CID 2735689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).