(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol

C11H17NO2 — CID 96622527

IUPAC(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1ccccc1OC
InChIInChI=1S/C11H17NO2/c1-3-9(13)11(12)8-6-4-5-7-10(8)14-2/h4-7,9,11,13H,3,12H2,1-2H3/t9-,11+/m0/s1
InChIKeyMGHIYKRAMCAXKT-GXSJLCMTSA-N
MW195.26 g/mol
LogP1.47
Rot. Bonds4

About (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol

(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol (PubChem CID 96622527) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
PubChem CID96622527
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1ccccc1OC
InChIInChI=1S/C11H17NO2/c1-3-9(13)11(12)8-6-4-5-7-10(8)14-2/h4-7,9,11,13H,3,12H2,1-2H3/t9-,11+/m0/s1
InChIKeyMGHIYKRAMCAXKT-GXSJLCMTSA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497
(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol
CID 171264524
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
2-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
CID 171269904
(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162425
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-6-methoxyphenol;hydrochloride
CID 171270288

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol (CID 96622527) is (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol is CC[C@H](O)[C@H](N)c1ccccc1OC.
What is the InChIKey of (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol?
The InChIKey is MGHIYKRAMCAXKT-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-9(13)11(12)8-6-4-5-7-10(8)14-2/h4-7,9,11,13H,3,12H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol?
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 96622527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).