2-[3-(3-phenylbutylamino)propoxy]ethanol

C15H25NO2 — CID 107095408

IUPAC2-[3-(3-phenylbutylamino)propoxy]ethanol
SMILESCC(CCNCCCOCCO)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-14(15-6-3-2-4-7-15)8-10-16-9-5-12-18-13-11-17/h2-4,6-7,14,16-17H,5,8-13H2,1H3
InChIKeyJMIKUJFJDXIDRE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.17
Rot. Bonds10

About 2-[3-(3-phenylbutylamino)propoxy]ethanol

2-[3-(3-phenylbutylamino)propoxy]ethanol (PubChem CID 107095408) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-(3-phenylbutylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(3-phenylbutylamino)propoxy]ethanol
PubChem CID107095408
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[3-(3-phenylbutylamino)propoxy]ethanol
SMILESCC(CCNCCCOCCO)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-14(15-6-3-2-4-7-15)8-10-16-9-5-12-18-13-11-17/h2-4,6-7,14,16-17H,5,8-13H2,1H3
InChIKeyJMIKUJFJDXIDRE-UHFFFAOYSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
2-[3-(3-methylbutylamino)propoxy]ethanol
CID 103578781
N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
CID 104600558
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid
CID 106305496
N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine
CID 107095208
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
2,2-dimethyl-4-(3-phenylbutylamino)butanoic acid
CID 122084441
3,3-dimethyl-4-(3-phenylbutylamino)butan-1-ol
CID 107095044
N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide
CID 106311040
N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide
CID 77032282

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylbutylamino)propoxy]ethanol?
The IUPAC name of 2-[3-(3-phenylbutylamino)propoxy]ethanol (CID 107095408) is 2-[3-(3-phenylbutylamino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(3-phenylbutylamino)propoxy]ethanol?
The canonical SMILES for 2-[3-(3-phenylbutylamino)propoxy]ethanol is CC(CCNCCCOCCO)c1ccccc1.
What is the InChIKey of 2-[3-(3-phenylbutylamino)propoxy]ethanol?
The InChIKey is JMIKUJFJDXIDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(15-6-3-2-4-7-15)8-10-16-9-5-12-18-13-11-17/h2-4,6-7,14,16-17H,5,8-13H2,1H3.
What are the key properties of 2-[3-(3-phenylbutylamino)propoxy]ethanol?
2-[3-(3-phenylbutylamino)propoxy]ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylbutylamino)propoxy]ethanol is sourced from PubChem (CID 107095408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).