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

C11H17NO2 — CID 131128288

IUPAC4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
SMILESCc1cc([C@H](N)CCO)c(C)cc1O
InChIInChI=1S/C11H17NO2/c1-7-6-11(14)8(2)5-9(7)10(12)3-4-13/h5-6,10,13-14H,3-4,12H2,1-2H3/t10-/m1/s1
InChIKeyKAJNFMSDEPEVNL-SNVBAGLBSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds3

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

4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol (PubChem CID 131128288) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
PubChem CID131128288
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
SMILESCc1cc([C@H](N)CCO)c(C)cc1O
InChIInChI=1S/C11H17NO2/c1-7-6-11(14)8(2)5-9(7)10(12)3-4-13/h5-6,10,13-14H,3-4,12H2,1-2H3/t10-/m1/s1
InChIKeyKAJNFMSDEPEVNL-SNVBAGLBSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 131011081
3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol
CID 84805874
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol
CID 84782788
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
4-[(1S,2S)-1-amino-2-hydroxypropyl]-2,5-dimethylphenol
CID 130606708
4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol
CID 22947162
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol
CID 22571327
4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol
CID 130612517

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol?
The IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol (CID 131128288) is 4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol is Cc1cc([C@H](N)CCO)c(C)cc1O.
What is the InChIKey of 4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol?
The InChIKey is KAJNFMSDEPEVNL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-6-11(14)8(2)5-9(7)10(12)3-4-13/h5-6,10,13-14H,3-4,12H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol?
4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol is sourced from PubChem (CID 131128288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).