1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol

C17H21NO3 — CID 64812936

IUPAC1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol
SMILESNCC(O)(COCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO3/c18-13-17(19,15-7-3-1-4-8-15)14-20-11-12-21-16-9-5-2-6-10-16/h1-10,19H,11-14,18H2
InChIKeyHRPLLYUTEVOSAT-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.93
Rot. Bonds8

About 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol

1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol (PubChem CID 64812936) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol
PubChem CID64812936
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol
SMILESNCC(O)(COCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO3/c18-13-17(19,15-7-3-1-4-8-15)14-20-11-12-21-16-9-5-2-6-10-16/h1-10,19H,11-14,18H2
InChIKeyHRPLLYUTEVOSAT-UHFFFAOYSA-N
XLogP1.93
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.93
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

1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol
CID 64814630
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
2-(2-phenoxyethoxy)ethanol
CID 7715
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2-(2-phenoxyethoxy)ethanethioamide
CID 24693091
2-[2-[2-[2-[4-[2-[2-[2-[2-(4-tritylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10819033
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol (CID 64812936) is 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol is NCC(O)(COCCOc1ccccc1)c1ccccc1.
What is the InChIKey of 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol?
The InChIKey is HRPLLYUTEVOSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c18-13-17(19,15-7-3-1-4-8-15)14-20-11-12-21-16-9-5-2-6-10-16/h1-10,19H,11-14,18H2.
What are the key properties of 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol?
1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol is sourced from PubChem (CID 64812936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).