1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol

C29H37NO3 — CID 67817207

IUPAC1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol
SMILESOC(CNCCCCCCOCCc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H37NO3/c31-29(27-13-7-4-8-14-27)23-30-20-9-1-2-10-21-32-22-19-25-15-17-28(18-16-25)33-24-26-11-5-3-6-12-26/h3-8,11-18,29-31H,1-2,9-10,19-24H2
InChIKeySCFMYQGDYJZJQX-UHFFFAOYSA-N
MW447.62 g/mol
LogP5.71
Rot. Bonds16

About 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol

1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol (PubChem CID 67817207) has the molecular formula C29H37NO3 and a molecular weight of 447.62 g/mol. Its IUPAC name is 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol
PubChem CID67817207
Molecular FormulaC29H37NO3
Molecular Weight447.62 g/mol
Exact Mass447.28
IUPAC Name1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol
SMILESOC(CNCCCCCCOCCc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H37NO3/c31-29(27-13-7-4-8-14-27)23-30-20-9-1-2-10-21-32-22-19-25-15-17-28(18-16-25)33-24-26-11-5-3-6-12-26/h3-8,11-18,29-31H,1-2,9-10,19-24H2
InChIKeySCFMYQGDYJZJQX-UHFFFAOYSA-N
XLogP5.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol
CID 67818674
1-(3-ethylphenyl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol
CID 144984988
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol
CID 130406647
9-[(2-hydroxy-2-phenylethyl)amino]nonyl 4-phenylbutanoate
CID 23352551
4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
CID 174549086
2-(4-phenylmethoxyphenoxy)ethyl 6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexanoate
CID 23352681
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane
CID 145365424
2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
CID 5152
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid
CID 67001965
3-[3-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]propylamino]propanoic acid
CID 23121054
sodium;hydride;2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
CID 175593239

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol?
The IUPAC name of 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol (CID 67817207) is 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol.
What is the SMILES notation for 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol?
The canonical SMILES for 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol is OC(CNCCCCCCOCCc1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol?
The InChIKey is SCFMYQGDYJZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO3/c31-29(27-13-7-4-8-14-27)23-30-20-9-1-2-10-21-32-22-19-25-15-17-28(18-16-25)33-24-26-11-5-3-6-12-26/h3-8,11-18,29-31H,1-2,9-10,19-24H2.
What are the key properties of 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol?
1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol has a molecular weight of 447.62 g/mol, XLogP of 5.71, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol is sourced from PubChem (CID 67817207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).