4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol

C11H17NO2 — CID 131076622

IUPAC4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1[C@H](O)[C@@H](C)N
InChIInChI=1S/C11H17NO2/c1-6-4-9(13)5-7(2)10(6)11(14)8(3)12/h4-5,8,11,13-14H,12H2,1-3H3/t8-,11-/m1/s1
InChIKeyJYMVMVDSUSZTOA-LDYMZIIASA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds2

About 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol

4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol (PubChem CID 131076622) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol
PubChem CID131076622
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1[C@H](O)[C@@H](C)N
InChIInChI=1S/C11H17NO2/c1-6-4-9(13)5-7(2)10(6)11(14)8(3)12/h4-5,8,11,13-14H,12H2,1-3H3/t8-,11-/m1/s1
InChIKeyJYMVMVDSUSZTOA-LDYMZIIASA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-2,2-difluoroethyl]-3,5-dimethylphenol
CID 130682561
3-amino-1-(4-hydroxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170827987
methyl 2,3-dihydroxy-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 171864012
4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
CID 171266603
4-[(1R)-1-amino-4-hydroxybutyl]-3,5-dimethylphenol
CID 171198736
2-[(1S,2R)-2-amino-1-hydroxypropyl]benzene-1,3-diol
CID 130806183
4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)butane-1,2-diol
CID 171893750
(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 14550068
2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84811322
2-[(1R)-1-amino-2-hydroxypropyl]benzene-1,3,5-triol
CID 130605710
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
1-(4-hydroxy-2,6-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890167

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol?
The IUPAC name of 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol (CID 131076622) is 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol is Cc1cc(O)cc(C)c1[C@H](O)[C@@H](C)N.
What is the InChIKey of 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol?
The InChIKey is JYMVMVDSUSZTOA-LDYMZIIASA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-4-9(13)5-7(2)10(6)11(14)8(3)12/h4-5,8,11,13-14H,12H2,1-3H3/t8-,11-/m1/s1.
What are the key properties of 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol?
4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol is sourced from PubChem (CID 131076622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).