2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol

C7H14ClNO2 — CID 76932479

IUPAC2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CC=CCl)CCO
InChIInChI=1S/C7H14ClNO2/c8-2-1-3-9(4-6-10)5-7-11/h1-2,10-11H,3-7H2
InChIKeyBLUHUKCHHNDYTO-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.03
Rot. Bonds6

About 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol

2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol (PubChem CID 76932479) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol
PubChem CID76932479
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CC=CCl)CCO
InChIInChI=1S/C7H14ClNO2/c8-2-1-3-9(4-6-10)5-7-11/h1-2,10-11H,3-7H2
InChIKeyBLUHUKCHHNDYTO-UHFFFAOYSA-N
XLogP0.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol (CID 76932479) is 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol is OCCN(CC=CCl)CCO.
What is the InChIKey of 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is BLUHUKCHHNDYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c8-2-1-3-9(4-6-10)5-7-11/h1-2,10-11H,3-7H2.
What are the key properties of 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol?
2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 179.65 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 76932479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).