4-(2-aminoethyl)-2-tert-butylphenol

C12H19NO — CID 82263790

IUPAC4-(2-aminoethyl)-2-tert-butylphenol
SMILESCC(C)(C)c1cc(CCN)ccc1O
InChIInChI=1S/C12H19NO/c1-12(2,3)10-8-9(6-7-13)4-5-11(10)14/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyYQEDNUGLRGKKFF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.19
Rot. Bonds2

About 4-(2-aminoethyl)-2-tert-butylphenol

4-(2-aminoethyl)-2-tert-butylphenol (PubChem CID 82263790) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-tert-butylphenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-tert-butylphenol
PubChem CID82263790
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(2-aminoethyl)-2-tert-butylphenol
SMILESCC(C)(C)c1cc(CCN)ccc1O
InChIInChI=1S/C12H19NO/c1-12(2,3)10-8-9(6-7-13)4-5-11(10)14/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyYQEDNUGLRGKKFF-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-pentylphenol
CID 19933254
4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
CID 159860777
CID 159860777
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride
CID 174942711
2-tert-butyl-4-(3-methylsulfanylpropyl)phenol
CID 130368676
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 3084638
4-butyl-2,6-ditert-butylphenol;2-tert-butyl-4-dodecylphenol
CID 22360099
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid;ethane-1,2-diol
CID 174372134
benzyl-[(3-tert-butyl-4-hydroxyphenyl)methyl]-methylsulfanium
CID 157447963

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-tert-butylphenol?
The IUPAC name of 4-(2-aminoethyl)-2-tert-butylphenol (CID 82263790) is 4-(2-aminoethyl)-2-tert-butylphenol.
What is the SMILES notation for 4-(2-aminoethyl)-2-tert-butylphenol?
The canonical SMILES for 4-(2-aminoethyl)-2-tert-butylphenol is CC(C)(C)c1cc(CCN)ccc1O.
What is the InChIKey of 4-(2-aminoethyl)-2-tert-butylphenol?
The InChIKey is YQEDNUGLRGKKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)10-8-9(6-7-13)4-5-11(10)14/h4-5,8,14H,6-7,13H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-2-tert-butylphenol?
4-(2-aminoethyl)-2-tert-butylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-tert-butylphenol is sourced from PubChem (CID 82263790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).