4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol

C14H21NO2 — CID 11658719

IUPAC4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol
SMILESNCCC1CCC(CCc2ccc(O)cc2)O1
InChIInChI=1S/C14H21NO2/c15-10-9-14-8-7-13(17-14)6-3-11-1-4-12(16)5-2-11/h1-2,4-5,13-14,16H,3,6-10,15H2
InChIKeyXXFWDPHWYVNJQG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds5

About 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol

4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol (PubChem CID 11658719) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol
PubChem CID11658719
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol
SMILESNCCC1CCC(CCc2ccc(O)cc2)O1
InChIInChI=1S/C14H21NO2/c15-10-9-14-8-7-13(17-14)6-3-11-1-4-12(16)5-2-11/h1-2,4-5,13-14,16H,3,6-10,15H2
InChIKeyXXFWDPHWYVNJQG-UHFFFAOYSA-N
XLogP2.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol (CID 11658719) is 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol is NCCC1CCC(CCc2ccc(O)cc2)O1.
What is the InChIKey of 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol?
The InChIKey is XXFWDPHWYVNJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-10-9-14-8-7-13(17-14)6-3-11-1-4-12(16)5-2-11/h1-2,4-5,13-14,16H,3,6-10,15H2.
What are the key properties of 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol?
4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(2-aminoethyl)oxolan-2-yl]ethyl]phenol is sourced from PubChem (CID 11658719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).