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3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol

C14H23NO2 — CID 64806251

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol
SMILESCNC(CO)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)11-6-5-7-13(8-11)17-10-12(9-16)15-4/h5-8,12,15-16H,9-10H2,1-4H3
InChIKeyCZSNPKPISXREFL-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.94
Rot. Bonds5

About 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol

3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol (PubChem CID 64806251) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol
PubChem CID64806251
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol
SMILESCNC(CO)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)11-6-5-7-13(8-11)17-10-12(9-16)15-4/h5-8,12,15-16H,9-10H2,1-4H3
InChIKeyCZSNPKPISXREFL-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol (CID 64806251) is 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol is CNC(CO)COc1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol?
The InChIKey is CZSNPKPISXREFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)11-6-5-7-13(8-11)17-10-12(9-16)15-4/h5-8,12,15-16H,9-10H2,1-4H3.
What are the key properties of 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol?
3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64806251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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