(2R)-2-amino-2-(4-tert-butylphenyl)ethanol

C12H19NO — CID 55278122

IUPAC(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccc([C@@H](N)CO)cc1
InChIInChI=1S/C12H19NO/c1-12(2,3)10-6-4-9(5-7-10)11(13)8-14/h4-7,11,14H,8,13H2,1-3H3/t11-/m0/s1
InChIKeyTXUFIGBVDCUITR-NSHDSACASA-N
MW193.29 g/mol
LogP1.98
Rot. Bonds2

About (2R)-2-amino-2-(4-tert-butylphenyl)ethanol

(2R)-2-amino-2-(4-tert-butylphenyl)ethanol (PubChem CID 55278122) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
PubChem CID55278122
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccc([C@@H](N)CO)cc1
InChIInChI=1S/C12H19NO/c1-12(2,3)10-6-4-9(5-7-10)11(13)8-14/h4-7,11,14H,8,13H2,1-3H3/t11-/m0/s1
InChIKeyTXUFIGBVDCUITR-NSHDSACASA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-tert-butylphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-tert-butylphenyl)ethanol (CID 55278122) is (2R)-2-amino-2-(4-tert-butylphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-tert-butylphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-tert-butylphenyl)ethanol is CC(C)(C)c1ccc([C@@H](N)CO)cc1.
What is the InChIKey of (2R)-2-amino-2-(4-tert-butylphenyl)ethanol?
The InChIKey is TXUFIGBVDCUITR-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)10-6-4-9(5-7-10)11(13)8-14/h4-7,11,14H,8,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-tert-butylphenyl)ethanol?
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol has a molecular weight of 193.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-tert-butylphenyl)ethanol is sourced from PubChem (CID 55278122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).