4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride

C23H26ClNO2 — CID 3046517

IUPAC4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride
SMILESCC(Cc1ccccc1)NCCc1ccc(Oc2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C23H25NO2.ClH/c1-18(17-20-5-3-2-4-6-20)24-16-15-19-7-11-22(12-8-19)26-23-13-9-21(25)10-14-23;/h2-14,18,24-25H,15-17H2,1H3;1H
InChIKeyDRIXEXBZFAENQE-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.37
Rot. Bonds8

About 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride

4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride (PubChem CID 3046517) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride.

Molecular Properties

Compound Name4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride
PubChem CID3046517
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride
SMILESCC(Cc1ccccc1)NCCc1ccc(Oc2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C23H25NO2.ClH/c1-18(17-20-5-3-2-4-6-20)24-16-15-19-7-11-22(12-8-19)26-23-13-9-21(25)10-14-23;/h2-14,18,24-25H,15-17H2,1H3;1H
InChIKeyDRIXEXBZFAENQE-UHFFFAOYSA-N
XLogP5.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride?
The IUPAC name of 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride (CID 3046517) is 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride.
What is the SMILES notation for 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride?
The canonical SMILES for 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride is CC(Cc1ccccc1)NCCc1ccc(Oc2ccc(O)cc2)cc1.Cl.
What is the InChIKey of 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride?
The InChIKey is DRIXEXBZFAENQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2.ClH/c1-18(17-20-5-3-2-4-6-20)24-16-15-19-7-11-22(12-8-19)26-23-13-9-21(25)10-14-23;/h2-14,18,24-25H,15-17H2,1H3;1H.
What are the key properties of 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride?
4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1-phenylpropan-2-ylamino)ethyl]phenoxy]phenol;hydrochloride is sourced from PubChem (CID 3046517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).