2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol

C7H13Cl2NO — CID 115575518

IUPAC2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol
SMILESCN(CCO)CC1CC1(Cl)Cl
InChIInChI=1S/C7H13Cl2NO/c1-10(2-3-11)5-6-4-7(6,8)9/h6,11H,2-5H2,1H3
InChIKeyHWKGHJUECJHHMK-UHFFFAOYSA-N
MW198.09 g/mol
LogP1.10
Rot. Bonds4

About 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol

2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol (PubChem CID 115575518) has the molecular formula C7H13Cl2NO and a molecular weight of 198.09 g/mol. Its IUPAC name is 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol
PubChem CID115575518
Molecular FormulaC7H13Cl2NO
Molecular Weight198.09 g/mol
Exact Mass197.04
IUPAC Name2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol
SMILESCN(CCO)CC1CC1(Cl)Cl
InChIInChI=1S/C7H13Cl2NO/c1-10(2-3-11)5-6-4-7(6,8)9/h6,11H,2-5H2,1H3
InChIKeyHWKGHJUECJHHMK-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol (CID 115575518) is 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol is CN(CCO)CC1CC1(Cl)Cl.
What is the InChIKey of 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol?
The InChIKey is HWKGHJUECJHHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NO/c1-10(2-3-11)5-6-4-7(6,8)9/h6,11H,2-5H2,1H3.
What are the key properties of 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol?
2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol has a molecular weight of 198.09 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol is sourced from PubChem (CID 115575518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).