4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol

C12H19NO2 — CID 171198736

IUPAC4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1[C@H](N)CCCO
InChIInChI=1S/C12H19NO2/c1-8-6-10(15)7-9(2)12(8)11(13)4-3-5-14/h6-7,11,14-15H,3-5,13H2,1-2H3/t11-/m1/s1
InChIKeyQCVBOYCUNJZIKL-LLVKDONJSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds4

About 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol

4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol (PubChem CID 171198736) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol
PubChem CID171198736
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1[C@H](N)CCCO
InChIInChI=1S/C12H19NO2/c1-8-6-10(15)7-9(2)12(8)11(13)4-3-5-14/h6-7,11,14-15H,3-5,13H2,1-2H3/t11-/m1/s1
InChIKeyQCVBOYCUNJZIKL-LLVKDONJSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1,5-diaminopentyl]-3,5-dimethylphenol
CID 171198700
4-[(1R)-1-aminopentyl]-3,5-dimethylphenol;hydrochloride
CID 171198708
4-[(1S)-1,4-diaminobutyl]-3,5-dimethylphenol;hydrochloride
CID 171218216
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethylphenol;hydrochloride
CID 171198715
4-amino-4-(4-hydroxy-2,6-dimethylphenyl)butanoic acid
CID 84688291
(3S)-3-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanenitrile
CID 131224612
4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol
CID 131076622
4-[(1S)-1-amino-2,2-difluoroethyl]-3,5-dimethylphenol
CID 130682561
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
methyl (3R)-3-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 171245774
2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
2-[(1R)-1-amino-4-hydroxybutyl]-6-methylphenol;hydrochloride
CID 171212526

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol?
The IUPAC name of 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol (CID 171198736) is 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol is Cc1cc(O)cc(C)c1[C@H](N)CCCO.
What is the InChIKey of 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol?
The InChIKey is QCVBOYCUNJZIKL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-6-10(15)7-9(2)12(8)11(13)4-3-5-14/h6-7,11,14-15H,3-5,13H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol?
4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol has a molecular weight of 209.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol is sourced from PubChem (CID 171198736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).