2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol

C20H27NO3 — CID 29761

IUPAC2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol
SMILESOCCN(CCO)CCCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H27NO3/c22-15-13-21(14-16-23)12-4-5-18-8-10-19(11-9-18)17-24-20-6-2-1-3-7-20/h1-3,6-11,22-23H,4-5,12-17H2
InChIKeyJCTQHLAPAKSNOD-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.48
Rot. Bonds11

About 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol

2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol (PubChem CID 29761) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol
PubChem CID29761
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol
SMILESOCCN(CCO)CCCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H27NO3/c22-15-13-21(14-16-23)12-4-5-18-8-10-19(11-9-18)17-24-20-6-2-1-3-7-20/h1-3,6-11,22-23H,4-5,12-17H2
InChIKeyJCTQHLAPAKSNOD-UHFFFAOYSA-N
XLogP2.48
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol
CID 97182483
2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]propan-1-ol
CID 71677148
2-[2-hydroxyethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amino]ethanol
CID 20544935
2-[2-hydroxyethyl(5-phenylpentyl)amino]ethanol
CID 18933224
2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689958
2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol
CID 111487786
(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol
CID 70593836
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
CID 174311801
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol (CID 29761) is 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol is OCCN(CCO)CCCc1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol?
The InChIKey is JCTQHLAPAKSNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-15-13-21(14-16-23)12-4-5-18-8-10-19(11-9-18)17-24-20-6-2-1-3-7-20/h1-3,6-11,22-23H,4-5,12-17H2.
What are the key properties of 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol?
2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol has a molecular weight of 329.44 g/mol, XLogP of 2.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol is sourced from PubChem (CID 29761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).