4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol

C11H17NO2 — CID 130975039

IUPAC4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
SMILESCC(C)[C@@H](O)[C@@H](N)c1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-7(2)11(14)10(12)8-3-5-9(13)6-4-8/h3-7,10-11,13-14H,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyBHJISOOAVREBSE-WDEREUQCSA-N
MW195.26 g/mol
LogP1.41
Rot. Bonds3

About 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol

4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol (PubChem CID 130975039) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
PubChem CID130975039
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
SMILESCC(C)[C@@H](O)[C@@H](N)c1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-7(2)11(14)10(12)8-3-5-9(13)6-4-8/h3-7,10-11,13-14H,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyBHJISOOAVREBSE-WDEREUQCSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
4-(1,2-diaminopropyl)phenol
CID 24841393
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride
CID 171267170
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]benzene-1,3-diol;hydrochloride
CID 171160934
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
CID 131484001
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-dimethylphenol
CID 131404150

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol?
The IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol (CID 130975039) is 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol is CC(C)[C@@H](O)[C@@H](N)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol?
The InChIKey is BHJISOOAVREBSE-WDEREUQCSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)11(14)10(12)8-3-5-9(13)6-4-8/h3-7,10-11,13-14H,12H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol?
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol is sourced from PubChem (CID 130975039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).