1-(methylamino)-3-phenoxypropan-2-ol

C10H15NO2 — CID 3148357

IUPAC1-(methylamino)-3-phenoxypropan-2-ol
SMILESCNCC(O)COc1ccccc1
InChIInChI=1S/C10H15NO2/c1-11-7-9(12)8-13-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyQYNFYHMIUAYDRE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.65
Rot. Bonds5

About 1-(methylamino)-3-phenoxypropan-2-ol

1-(methylamino)-3-phenoxypropan-2-ol (PubChem CID 3148357) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(methylamino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-phenoxypropan-2-ol
PubChem CID3148357
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-(methylamino)-3-phenoxypropan-2-ol
SMILESCNCC(O)COc1ccccc1
InChIInChI=1S/C10H15NO2/c1-11-7-9(12)8-13-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyQYNFYHMIUAYDRE-UHFFFAOYSA-N
XLogP0.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(methylamino)-3-phenoxypropan-2-ol (CID 3148357) is 1-(methylamino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(methylamino)-3-phenoxypropan-2-ol is CNCC(O)COc1ccccc1.
What is the InChIKey of 1-(methylamino)-3-phenoxypropan-2-ol?
The InChIKey is QYNFYHMIUAYDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-7-9(12)8-13-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3.
What are the key properties of 1-(methylamino)-3-phenoxypropan-2-ol?
1-(methylamino)-3-phenoxypropan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 3148357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).