2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol

C7H16ClNO4 — CID 87919483

IUPAC2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol
SMILESOCCON(CCCCl)OCCO
InChIInChI=1S/C7H16ClNO4/c8-2-1-3-9(12-6-4-10)13-7-5-11/h10-11H,1-7H2
InChIKeyIXCRFDWGWYHWBK-UHFFFAOYSA-N
MW213.66 g/mol
LogP-0.23
Rot. Bonds9

About 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol

2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol (PubChem CID 87919483) has the molecular formula C7H16ClNO4 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol.

Molecular Properties

Compound Name2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol
PubChem CID87919483
Molecular FormulaC7H16ClNO4
Molecular Weight213.66 g/mol
Exact Mass213.08
IUPAC Name2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol
SMILESOCCON(CCCCl)OCCO
InChIInChI=1S/C7H16ClNO4/c8-2-1-3-9(12-6-4-10)13-7-5-11/h10-11H,1-7H2
InChIKeyIXCRFDWGWYHWBK-UHFFFAOYSA-N
XLogP-0.23
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
CID 87327457
2-[2-[bis(2-hydroxyethoxy)amino]ethoxy]ethanol
CID 87524691
N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide
CID 87923177
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid
CID 173031633
4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol
CID 87183048
2-[ethyl(2-hydroxyethoxy)amino]oxyethanol
CID 18004331
2-[2-hydroxyethoxy(pentadecyl)amino]oxyethanol;octadecanoic acid
CID 90146048
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
CID 173031616
tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
CID 173155044
2-[heptadecyl(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 174704040
3-amino-3-heptadecylpentane-1,5-diol;2-[butyl(2-hydroxyethoxy)amino]oxyethanol
CID 174172810
13-chlorotridecan-1-ol
CID 12663580

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol?
The IUPAC name of 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol (CID 87919483) is 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol.
What is the SMILES notation for 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol?
The canonical SMILES for 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol is OCCON(CCCCl)OCCO.
What is the InChIKey of 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol?
The InChIKey is IXCRFDWGWYHWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO4/c8-2-1-3-9(12-6-4-10)13-7-5-11/h10-11H,1-7H2.
What are the key properties of 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol?
2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol has a molecular weight of 213.66 g/mol, XLogP of -0.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol is sourced from PubChem (CID 87919483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).