1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol

C12H19NO3 — CID 10105079

IUPAC1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
SMILESCOCCc1ccc(OCC(O)CN)cc1
InChIInChI=1S/C12H19NO3/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,14H,6-9,13H2,1H3
InChIKeyXJWXVDJGNOHFLR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.57
Rot. Bonds7

About 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol

1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol (PubChem CID 10105079) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
PubChem CID10105079
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
SMILESCOCCc1ccc(OCC(O)CN)cc1
InChIInChI=1S/C12H19NO3/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,14H,6-9,13H2,1H3
InChIKeyXJWXVDJGNOHFLR-UHFFFAOYSA-N
XLogP0.57
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol (CID 10105079) is 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol is COCCc1ccc(OCC(O)CN)cc1.
What is the InChIKey of 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol?
The InChIKey is XJWXVDJGNOHFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,14H,6-9,13H2,1H3.
What are the key properties of 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol?
1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 10105079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).