1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol

C14H23NO4 — CID 106989914

IUPAC1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC(CO)c1ccccc1
InChIInChI=1S/C14H23NO4/c1-18-7-8-19-11-13(17)9-15-14(10-16)12-5-3-2-4-6-12/h2-6,13-17H,7-11H2,1H3
InChIKeyZEFDXPCKVHAAIQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.33
Rot. Bonds10

About 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol

1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106989914) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106989914
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC(CO)c1ccccc1
InChIInChI=1S/C14H23NO4/c1-18-7-8-19-11-13(17)9-15-14(10-16)12-5-3-2-4-6-12/h2-6,13-17H,7-11H2,1H3
InChIKeyZEFDXPCKVHAAIQ-UHFFFAOYSA-N
XLogP0.33
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
CID 103913530
1-(4-methylpentoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62303856
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989639
1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
CID 159072005
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol (CID 106989914) is 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNC(CO)c1ccccc1.
What is the InChIKey of 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is ZEFDXPCKVHAAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-18-7-8-19-11-13(17)9-15-14(10-16)12-5-3-2-4-6-12/h2-6,13-17H,7-11H2,1H3.
What are the key properties of 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 0.33, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106989914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).