4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol

C11H17NO2 — CID 55254286

IUPAC4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
SMILESCOc1cc([C@@H](N)C(C)C)ccc1O
InChIInChI=1S/C11H17NO2/c1-7(2)11(12)8-4-5-9(13)10(6-8)14-3/h4-7,11,13H,12H2,1-3H3/t11-/m0/s1
InChIKeyGBKNUWFRFQUDFP-NSHDSACASA-N
MW195.26 g/mol
LogP2.06
Rot. Bonds3

About 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol

4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol (PubChem CID 55254286) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
PubChem CID55254286
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
SMILESCOc1cc([C@@H](N)C(C)C)ccc1O
InChIInChI=1S/C11H17NO2/c1-7(2)11(12)8-4-5-9(13)10(6-8)14-3/h4-7,11,13H,12H2,1-3H3/t11-/m0/s1
InChIKeyGBKNUWFRFQUDFP-NSHDSACASA-N
XLogP2.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154
4-(1-amino-2-methylpropyl)benzene-1,2-diol
CID 55283190
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 55112135
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
CID 58361160
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
5-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2-methoxyphenol
CID 171162182

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol?
The IUPAC name of 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol (CID 55254286) is 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol?
The canonical SMILES for 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol is COc1cc([C@@H](N)C(C)C)ccc1O.
What is the InChIKey of 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol?
The InChIKey is GBKNUWFRFQUDFP-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)11(12)8-4-5-9(13)10(6-8)14-3/h4-7,11,13H,12H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol?
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol has a molecular weight of 195.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol is sourced from PubChem (CID 55254286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).