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

C18H23NO2 — CID 72941796

IUPAC4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol
SMILESC[C@H](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/t14-/m1/s1
InChIKeySIPCJKBZUBDKLP-CQSZACIVSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds7

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

4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol (PubChem CID 72941796) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol.

Molecular Properties

Compound Name4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol
PubChem CID72941796
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol
SMILESC[C@H](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/t14-/m1/s1
InChIKeySIPCJKBZUBDKLP-CQSZACIVSA-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-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol?
The IUPAC name of 4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol (CID 72941796) is 4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol.
What is the SMILES notation for 4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol?
The canonical SMILES for 4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol is C[C@H](CCc1ccc(O)cc1)NCCc1ccc(O)cc1.
What is the InChIKey of 4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol?
The InChIKey is SIPCJKBZUBDKLP-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol?
4-[(3R)-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-[(3R)-3-[2-(4-hydroxyphenyl)ethylamino]butyl]phenol is sourced from PubChem (CID 72941796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).