3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol

C15H25NO2 — CID 25255700

IUPAC3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1cccc(CCCN)c1
InChIInChI=1S/C15H25NO2/c1-3-15(17,4-2)12-18-14-9-5-7-13(11-14)8-6-10-16/h5,7,9,11,17H,3-4,6,8,10,12,16H2,1-2H3
InChIKeyWISINULCFMQUAA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.51
Rot. Bonds8

About 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol

3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol (PubChem CID 25255700) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol
PubChem CID25255700
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1cccc(CCCN)c1
InChIInChI=1S/C15H25NO2/c1-3-15(17,4-2)12-18-14-9-5-7-13(11-14)8-6-10-16/h5,7,9,11,17H,3-4,6,8,10,12,16H2,1-2H3
InChIKeyWISINULCFMQUAA-UHFFFAOYSA-N
XLogP2.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol (CID 25255700) is 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1cccc(CCCN)c1.
What is the InChIKey of 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol?
The InChIKey is WISINULCFMQUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-15(17,4-2)12-18-14-9-5-7-13(11-14)8-6-10-16/h5,7,9,11,17H,3-4,6,8,10,12,16H2,1-2H3.
What are the key properties of 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol?
3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-aminopropyl)phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 25255700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).