(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol

C13H21NO3 — CID 10857567

IUPAC(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
SMILESCOc1ccc(COC[C@@H](C)[C@@H](N)CO)cc1
InChIInChI=1S/C13H21NO3/c1-10(13(14)7-15)8-17-9-11-3-5-12(16-2)6-4-11/h3-6,10,13,15H,7-9,14H2,1-2H3/t10-,13+/m1/s1
InChIKeyXSRUPOGHNZJVRC-MFKMUULPSA-N
MW239.31 g/mol
LogP1.17
Rot. Bonds7

About (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol

(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol (PubChem CID 10857567) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
PubChem CID10857567
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
SMILESCOc1ccc(COC[C@@H](C)[C@@H](N)CO)cc1
InChIInChI=1S/C13H21NO3/c1-10(13(14)7-15)8-17-9-11-3-5-12(16-2)6-4-11/h3-6,10,13,15H,7-9,14H2,1-2H3/t10-,13+/m1/s1
InChIKeyXSRUPOGHNZJVRC-MFKMUULPSA-N
XLogP1.17
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol
CID 11695341
(5S,6S)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,6-dimethylheptan-3-one
CID 101412601
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
CID 61303513

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol?
The IUPAC name of (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol (CID 10857567) is (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol.
What is the SMILES notation for (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol?
The canonical SMILES for (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol is COc1ccc(COC[C@@H](C)[C@@H](N)CO)cc1.
What is the InChIKey of (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol?
The InChIKey is XSRUPOGHNZJVRC-MFKMUULPSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(13(14)7-15)8-17-9-11-3-5-12(16-2)6-4-11/h3-6,10,13,15H,7-9,14H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol?
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol is sourced from PubChem (CID 10857567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).