1-amino-3-phenoxypropan-2-ol

C9H13NO2 — CID 2725073

IUPAC1-amino-3-phenoxypropan-2-ol
SMILESNCC(O)COc1ccccc1
InChIInChI=1S/C9H13NO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2
InChIKeyJZEHWMUIAKALDN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.38
Rot. Bonds4

About 1-amino-3-phenoxypropan-2-ol

1-amino-3-phenoxypropan-2-ol (PubChem CID 2725073) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-amino-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-amino-3-phenoxypropan-2-ol
PubChem CID2725073
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-amino-3-phenoxypropan-2-ol
SMILESNCC(O)COc1ccccc1
InChIInChI=1S/C9H13NO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2
InChIKeyJZEHWMUIAKALDN-UHFFFAOYSA-N
XLogP0.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenoxypropan-2-ol?
The IUPAC name of 1-amino-3-phenoxypropan-2-ol (CID 2725073) is 1-amino-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-amino-3-phenoxypropan-2-ol?
The canonical SMILES for 1-amino-3-phenoxypropan-2-ol is NCC(O)COc1ccccc1.
What is the InChIKey of 1-amino-3-phenoxypropan-2-ol?
The InChIKey is JZEHWMUIAKALDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2.
What are the key properties of 1-amino-3-phenoxypropan-2-ol?
1-amino-3-phenoxypropan-2-ol has a molecular weight of 167.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenoxypropan-2-ol is sourced from PubChem (CID 2725073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).