4-[(2R)-2-aminobutan-2-yl]-2-methylphenol

C11H17NO — CID 131037914

IUPAC4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
SMILESCC[C@@](C)(N)c1ccc(O)c(C)c1
InChIInChI=1S/C11H17NO/c1-4-11(3,12)9-5-6-10(13)8(2)7-9/h5-7,13H,4,12H2,1-3H3/t11-/m1/s1
InChIKeyGFRCJBGKQNDGRX-LLVKDONJSA-N
MW179.26 g/mol
LogP2.28
Rot. Bonds2

About 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol

4-[(2R)-2-aminobutan-2-yl]-2-methylphenol (PubChem CID 131037914) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
PubChem CID131037914
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
SMILESCC[C@@](C)(N)c1ccc(O)c(C)c1
InChIInChI=1S/C11H17NO/c1-4-11(3,12)9-5-6-10(13)8(2)7-9/h5-7,13H,4,12H2,1-3H3/t11-/m1/s1
InChIKeyGFRCJBGKQNDGRX-LLVKDONJSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
4-(2-hydrazinylbutan-2-yl)-2-methylphenol
CID 144756619
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
2,2-bis(4-hydroxy-3-methylphenyl)butanoic acid
CID 68969545
4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
CID 71712304
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643
4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol
CID 69334425
4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol
CID 139775367
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol?
The IUPAC name of 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol (CID 131037914) is 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol?
The canonical SMILES for 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol is CC[C@@](C)(N)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol?
The InChIKey is GFRCJBGKQNDGRX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-11(3,12)9-5-6-10(13)8(2)7-9/h5-7,13H,4,12H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol?
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol has a molecular weight of 179.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-aminobutan-2-yl]-2-methylphenol is sourced from PubChem (CID 131037914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).