(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol

C13H19NO2 — CID 98041266

IUPAC(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
SMILESC[C@@H]1OCC[C@@]1(O)CNCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11-13(15,7-8-16-11)10-14-9-12-5-3-2-4-6-12/h2-6,11,14-15H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyOJZFCODDXKJJIK-WCQYABFASA-N
MW221.30 g/mol
LogP1.32
Rot. Bonds4

About (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol

(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 98041266) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
PubChem CID98041266
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
SMILESC[C@@H]1OCC[C@@]1(O)CNCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11-13(15,7-8-16-11)10-14-9-12-5-3-2-4-6-12/h2-6,11,14-15H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyOJZFCODDXKJJIK-WCQYABFASA-N
XLogP1.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 107268326
3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100120
3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423
3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
CID 106099631
3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100239
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol (CID 98041266) is (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol is C[C@@H]1OCC[C@@]1(O)CNCc1ccccc1.
What is the InChIKey of (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is OJZFCODDXKJJIK-WCQYABFASA-N. The full InChI is InChI=1S/C13H19NO2/c1-11-13(15,7-8-16-11)10-14-9-12-5-3-2-4-6-12/h2-6,11,14-15H,7-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol?
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 98041266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).