2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol

C14H21NO2 — CID 130595374

IUPAC2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol
SMILESOCCN(CCCC1CO1)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c16-10-9-15(8-4-7-14-12-17-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyOMQBKQIJPXXTLS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds8

About 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol

2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol (PubChem CID 130595374) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol
PubChem CID130595374
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol
SMILESOCCN(CCCC1CO1)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c16-10-9-15(8-4-7-14-12-17-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyOMQBKQIJPXXTLS-UHFFFAOYSA-N
XLogP1.66
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine
CID 161280376
5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one
CID 60706787
3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol
CID 14551073
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[benzyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60649363
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol (CID 130595374) is 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol is OCCN(CCCC1CO1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol?
The InChIKey is OMQBKQIJPXXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-10-9-15(8-4-7-14-12-17-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2.
What are the key properties of 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol?
2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol is sourced from PubChem (CID 130595374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).