(2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol

C14H22N2O2 — CID 125416315

IUPAC(2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol
SMILESCN(CCc1ccccc1)C[C@@H]1OC[C@H](N)[C@H]1O
InChIInChI=1S/C14H22N2O2/c1-16(8-7-11-5-3-2-4-6-11)9-13-14(17)12(15)10-18-13/h2-6,12-14,17H,7-10,15H2,1H3/t12-,13-,14+/m0/s1
InChIKeyCNCOSNYJXCHGAS-MELADBBJSA-N
MW250.34 g/mol
LogP0.25
Rot. Bonds5

About (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol

(2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol (PubChem CID 125416315) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol
PubChem CID125416315
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol
SMILESCN(CCc1ccccc1)C[C@@H]1OC[C@H](N)[C@H]1O
InChIInChI=1S/C14H22N2O2/c1-16(8-7-11-5-3-2-4-6-11)9-13-14(17)12(15)10-18-13/h2-6,12-14,17H,7-10,15H2,1H3/t12-,13-,14+/m0/s1
InChIKeyCNCOSNYJXCHGAS-MELADBBJSA-N
XLogP0.25
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol?
The IUPAC name of (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol (CID 125416315) is (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol is CN(CCc1ccccc1)C[C@@H]1OC[C@H](N)[C@H]1O.
What is the InChIKey of (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol?
The InChIKey is CNCOSNYJXCHGAS-MELADBBJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(8-7-11-5-3-2-4-6-11)9-13-14(17)12(15)10-18-13/h2-6,12-14,17H,7-10,15H2,1H3/t12-,13-,14+/m0/s1.
What are the key properties of (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol?
(2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol has a molecular weight of 250.34 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 125416315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).