1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol

C12H19NO2 — CID 117115386

IUPAC1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(C(N)CO)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,15)7-9-3-5-10(6-4-9)11(13)8-14/h3-6,11,14-15H,7-8,13H2,1-2H3
InChIKeyMRGJDSJVVIRWFK-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.99
Rot. Bonds4

About 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol

1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol (PubChem CID 117115386) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol
PubChem CID117115386
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(C(N)CO)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,15)7-9-3-5-10(6-4-9)11(13)8-14/h3-6,11,14-15H,7-8,13H2,1-2H3
InChIKeyMRGJDSJVVIRWFK-UHFFFAOYSA-N
XLogP0.99
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
CID 126511396
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol
CID 84669975
methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
CID 25020809
1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol
CID 90913483
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
2-amino-2-(4-octylphenyl)ethanol
CID 19881300
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol (CID 117115386) is 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(C(N)CO)cc1.
What is the InChIKey of 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol?
The InChIKey is MRGJDSJVVIRWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,15)7-9-3-5-10(6-4-9)11(13)8-14/h3-6,11,14-15H,7-8,13H2,1-2H3.
What are the key properties of 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol?
1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 117115386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).