4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol

C11H17NO2 — CID 96682617

IUPAC4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](O)CCN)cc(C)c1O
InChIInChI=1S/C11H17NO2/c1-7-5-9(10(13)3-4-12)6-8(2)11(7)14/h5-6,10,13-14H,3-4,12H2,1-2H3/t10-/m0/s1
InChIKeyZSEZRHLLYJENBL-JTQLQIEISA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds3

About 4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol

4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol (PubChem CID 96682617) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
PubChem CID96682617
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](O)CCN)cc(C)c1O
InChIInChI=1S/C11H17NO2/c1-7-5-9(10(13)3-4-12)6-8(2)11(7)14/h5-6,10,13-14H,3-4,12H2,1-2H3/t10-/m0/s1
InChIKeyZSEZRHLLYJENBL-JTQLQIEISA-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

(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
(1R)-3-amino-1-(3-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 90212502
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 84769044
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
CID 110177993
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357
2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
CID 10460281
3-amino-1-(3-chloro-5-propan-2-ylphenyl)propan-1-ol
CID 84791946
4-(1-aminobutyl)-2,6-dimethylphenol
CID 55296178
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254
tert-butyl-[2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)ethyl]azanium chloride
CID 110177996
4-[(1R,2S)-1-amino-2-hydroxypentyl]-2,6-dimethylphenol;hydrochloride
CID 171262455

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol (CID 96682617) is 4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol is Cc1cc([C@@H](O)CCN)cc(C)c1O.
What is the InChIKey of 4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol?
The InChIKey is ZSEZRHLLYJENBL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-5-9(10(13)3-4-12)6-8(2)11(7)14/h5-6,10,13-14H,3-4,12H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol?
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-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-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol is sourced from PubChem (CID 96682617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).