1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol

C14H23NO2 — CID 2843596

IUPAC1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CNC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)15-8-13(16)9-17-14-6-11(3)5-12(4)7-14/h5-7,10,13,15-16H,8-9H2,1-4H3
InChIKeyZEQHCHRGGOXXLH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.04
Rot. Bonds6

About 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 2843596) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID2843596
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CNC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)15-8-13(16)9-17-14-6-11(3)5-12(4)7-14/h5-7,10,13,15-16H,8-9H2,1-4H3
InChIKeyZEQHCHRGGOXXLH-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 2843596) is 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol is Cc1cc(C)cc(OCC(O)CNC(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ZEQHCHRGGOXXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)15-8-13(16)9-17-14-6-11(3)5-12(4)7-14/h5-7,10,13,15-16H,8-9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 2843596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).