4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol

C18H23NO2 — CID 61238014

IUPAC4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCc1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-14(2-3-15-4-8-17(20)9-5-15)19-13-12-16-6-10-18(21)11-7-16/h4-11,14,19-21H,2-3,12-13H2,1H3
InChIKeySIPCJKBZUBDKLP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds7

About 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol

4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol (PubChem CID 61238014) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol
PubChem CID61238014
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCc1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-14(2-3-15-4-8-17(20)9-5-15)19-13-12-16-6-10-18(21)11-7-16/h4-11,14,19-21H,2-3,12-13H2,1H3
InChIKeySIPCJKBZUBDKLP-UHFFFAOYSA-N
XLogP3.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol?
The IUPAC name of 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol (CID 61238014) is 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol?
The canonical SMILES for 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol is CC(CCc1ccc(O)cc1)NCCc1ccc(O)cc1.
What is the InChIKey of 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol?
The InChIKey is SIPCJKBZUBDKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2-3-15-4-8-17(20)9-5-15)19-13-12-16-6-10-18(21)11-7-16/h4-11,14,19-21H,2-3,12-13H2,1H3.
What are the key properties of 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol?
4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol is sourced from PubChem (CID 61238014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).