1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol

C14H23NO2 — CID 2834364

IUPAC1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-4-12-5-7-14(8-6-12)17-10-13(16)9-15-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3
InChIKeyOMSWREDBGOSTLF-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.99
Rot. Bonds7

About 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 2834364) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID2834364
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-4-12-5-7-14(8-6-12)17-10-13(16)9-15-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3
InChIKeyOMSWREDBGOSTLF-UHFFFAOYSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 2834364) is 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol is CCc1ccc(OCC(O)CNC(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is OMSWREDBGOSTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12-5-7-14(8-6-12)17-10-13(16)9-15-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 2834364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).