(2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol

C15H25NO2 — CID 44583456

IUPAC(2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol
SMILESCO[C@H](CO)[C@@H](NC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2/c1-11-6-8-12(9-7-11)14(13(10-17)18-5)16-15(2,3)4/h6-9,13-14,16-17H,10H2,1-5H3/t13-,14+/m1/s1
InChIKeyVBPXUXBDTHUSIJ-KGLIPLIRSA-N
MW251.37 g/mol
LogP2.43
Rot. Bonds5

About (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol

(2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol (PubChem CID 44583456) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol
PubChem CID44583456
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol
SMILESCO[C@H](CO)[C@@H](NC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2/c1-11-6-8-12(9-7-11)14(13(10-17)18-5)16-15(2,3)4/h6-9,13-14,16-17H,10H2,1-5H3/t13-,14+/m1/s1
InChIKeyVBPXUXBDTHUSIJ-KGLIPLIRSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol (CID 44583456) is (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol is CO[C@H](CO)[C@@H](NC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol?
The InChIKey is VBPXUXBDTHUSIJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-6-8-12(9-7-11)14(13(10-17)18-5)16-15(2,3)4/h6-9,13-14,16-17H,10H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol?
(2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(tert-butylamino)-2-methoxy-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 44583456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).