(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol

C14H21NO3 — CID 14199162

IUPAC(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
SMILESN[C@H](COC1CCCCO1)[C@H](O)c1ccccc1
InChIInChI=1S/C14H21NO3/c15-12(10-18-13-8-4-5-9-17-13)14(16)11-6-2-1-3-7-11/h1-3,6-7,12-14,16H,4-5,8-10,15H2/t12-,13?,14-/m1/s1
InChIKeyKPFSITUZMDMKNS-WYAMFQBQSA-N
MW251.33 g/mol
LogP1.59
Rot. Bonds5

About (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol

(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol (PubChem CID 14199162) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
PubChem CID14199162
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
SMILESN[C@H](COC1CCCCO1)[C@H](O)c1ccccc1
InChIInChI=1S/C14H21NO3/c15-12(10-18-13-8-4-5-9-17-13)14(16)11-6-2-1-3-7-11/h1-3,6-7,12-14,16H,4-5,8-10,15H2/t12-,13?,14-/m1/s1
InChIKeyKPFSITUZMDMKNS-WYAMFQBQSA-N
XLogP1.59
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-2-(oxan-2-yloxy)-1,2-diphenylethanol
CID 71209539
4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 85204875
(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 10610568
(1S)-4-(oxan-2-yloxy)-1-phenylbut-2-yn-1-ol
CID 165344268
2-amino-1-(oxolan-2-yloxy)pentan-3-ol
CID 153374047
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol
CID 59508792
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766
2-(3-phenylhex-5-ynoxy)oxane
CID 10658882
bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
[(2R)-1-(oxan-2-yloxy)-3-phenylsulfanylpropan-2-yl] 3-oxobutanoate
CID 46854835
[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate
CID 91428656

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol (CID 14199162) is (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol is N[C@H](COC1CCCCO1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol?
The InChIKey is KPFSITUZMDMKNS-WYAMFQBQSA-N. The full InChI is InChI=1S/C14H21NO3/c15-12(10-18-13-8-4-5-9-17-13)14(16)11-6-2-1-3-7-11/h1-3,6-7,12-14,16H,4-5,8-10,15H2/t12-,13?,14-/m1/s1.
What are the key properties of (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol?
(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol is sourced from PubChem (CID 14199162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).