2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine

C16H26N2O — CID 82024356

IUPAC2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine
SMILESCC(C)(C)c1ccc(C2CN(CCN)CCO2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-6-4-13(5-7-14)15-12-18(9-8-17)10-11-19-15/h4-7,15H,8-12,17H2,1-3H3
InChIKeyQTSXTFIVKFVTHM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine

2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine (PubChem CID 82024356) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine
PubChem CID82024356
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine
SMILESCC(C)(C)c1ccc(C2CN(CCN)CCO2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-6-4-13(5-7-14)15-12-18(9-8-17)10-11-19-15/h4-7,15H,8-12,17H2,1-3H3
InChIKeyQTSXTFIVKFVTHM-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine?
The IUPAC name of 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine (CID 82024356) is 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine is CC(C)(C)c1ccc(C2CN(CCN)CCO2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine?
The InChIKey is QTSXTFIVKFVTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)14-6-4-13(5-7-14)15-12-18(9-8-17)10-11-19-15/h4-7,15H,8-12,17H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine?
2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine is sourced from PubChem (CID 82024356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).