1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol

C23H25NO3 — CID 23647932

IUPAC1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESOCc1cccc(C(O)CNCc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C23H25NO3/c25-16-19-9-6-11-20(13-19)22(26)15-24-14-21-10-4-5-12-23(21)27-17-18-7-2-1-3-8-18/h1-13,22,24-26H,14-17H2
InChIKeyQPXGLRJFCBZQNF-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.58
Rot. Bonds9

About 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol

1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (PubChem CID 23647932) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
PubChem CID23647932
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESOCc1cccc(C(O)CNCc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C23H25NO3/c25-16-19-9-6-11-20(13-19)22(26)15-24-14-21-10-4-5-12-23(21)27-17-18-7-2-1-3-8-18/h1-13,22,24-26H,14-17H2
InChIKeyQPXGLRJFCBZQNF-UHFFFAOYSA-N
XLogP3.58
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (CID 23647932) is 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol is OCc1cccc(C(O)CNCc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The InChIKey is QPXGLRJFCBZQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c25-16-19-9-6-11-20(13-19)22(26)15-24-14-21-10-4-5-12-23(21)27-17-18-7-2-1-3-8-18/h1-13,22,24-26H,14-17H2.
What are the key properties of 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol has a molecular weight of 363.46 g/mol, XLogP of 3.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 23647932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).