2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol

C12H17NO2 — CID 112710041

IUPAC2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol
SMILESCC(N)C(O)c1ccc(C2COC2)cc1
InChIInChI=1S/C12H17NO2/c1-8(13)12(14)10-4-2-9(3-5-10)11-6-15-7-11/h2-5,8,11-12,14H,6-7,13H2,1H3
InChIKeyXYKUFYVGTFFLSS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol

2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol (PubChem CID 112710041) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol
PubChem CID112710041
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol
SMILESCC(N)C(O)c1ccc(C2COC2)cc1
InChIInChI=1S/C12H17NO2/c1-8(13)12(14)10-4-2-9(3-5-10)11-6-15-7-11/h2-5,8,11-12,14H,6-7,13H2,1H3
InChIKeyXYKUFYVGTFFLSS-UHFFFAOYSA-N
XLogP1.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol (CID 112710041) is 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol is CC(N)C(O)c1ccc(C2COC2)cc1.
What is the InChIKey of 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol?
The InChIKey is XYKUFYVGTFFLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(13)12(14)10-4-2-9(3-5-10)11-6-15-7-11/h2-5,8,11-12,14H,6-7,13H2,1H3.
What are the key properties of 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol?
2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol is sourced from PubChem (CID 112710041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).