2-(2-tert-butylphenoxy)ethanamine

C12H19NO — CID 7139303

IUPAC2-(2-tert-butylphenoxy)ethanamine
SMILESCC(C)(C)c1ccccc1OCCN
InChIInChI=1S/C12H19NO/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyHALAKHDLWOOTPW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.32
Rot. Bonds3

About 2-(2-tert-butylphenoxy)ethanamine

2-(2-tert-butylphenoxy)ethanamine (PubChem CID 7139303) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)ethanamine
PubChem CID7139303
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-tert-butylphenoxy)ethanamine
SMILESCC(C)(C)c1ccccc1OCCN
InChIInChI=1S/C12H19NO/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyHALAKHDLWOOTPW-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)ethanamine?
The IUPAC name of 2-(2-tert-butylphenoxy)ethanamine (CID 7139303) is 2-(2-tert-butylphenoxy)ethanamine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)ethanamine?
The canonical SMILES for 2-(2-tert-butylphenoxy)ethanamine is CC(C)(C)c1ccccc1OCCN.
What is the InChIKey of 2-(2-tert-butylphenoxy)ethanamine?
The InChIKey is HALAKHDLWOOTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13/h4-7H,8-9,13H2,1-3H3.
What are the key properties of 2-(2-tert-butylphenoxy)ethanamine?
2-(2-tert-butylphenoxy)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)ethanamine is sourced from PubChem (CID 7139303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).