2-(2-chloroethoxy)ethanimidamide

C4H9ClN2O — CID 150457610

IUPAC2-(2-chloroethoxy)ethanimidamide
SMILES[H]/N=C(/N)COCCCl
InChIInChI=1S/C4H9ClN2O/c5-1-2-8-3-4(6)7/h1-3H2,(H3,6,7)
InChIKeyHPCOXAIEBXDIIP-UHFFFAOYSA-N
MW136.58 g/mol
LogP0.18
Rot. Bonds4

About 2-(2-chloroethoxy)ethanimidamide

2-(2-chloroethoxy)ethanimidamide (PubChem CID 150457610) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is 2-(2-chloroethoxy)ethanimidamide.

Molecular Properties

Compound Name2-(2-chloroethoxy)ethanimidamide
PubChem CID150457610
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC Name2-(2-chloroethoxy)ethanimidamide
SMILES[H]/N=C(/N)COCCCl
InChIInChI=1S/C4H9ClN2O/c5-1-2-8-3-4(6)7/h1-3H2,(H3,6,7)
InChIKeyHPCOXAIEBXDIIP-UHFFFAOYSA-N
XLogP0.18
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-aminoethoxy)ethoxy]ethanimidamide
CID 151320095
2-(2-ethoxyethoxy)ethanimidamide
CID 24707447
2-(3-methoxypropoxy)ethanimidamide
CID 60917620
2-(methoxymethoxy)ethanimidamide
CID 10534653
3-chloropropanimidamide
CID 4174774
2-(methoxymethoxy)ethanimidamide;hydrochloride
CID 75421025
2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
2-(3-amino-3-iminopropoxy)acetic acid
CID 89185715
bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride
CID 67100780
(2-amino-2-iminoethyl) acetate;hydrochloride
CID 172736358
4-[bis(2-ethoxyethyl)amino]butanimidamide
CID 82951501
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)ethanimidamide?
The IUPAC name of 2-(2-chloroethoxy)ethanimidamide (CID 150457610) is 2-(2-chloroethoxy)ethanimidamide.
What is the SMILES notation for 2-(2-chloroethoxy)ethanimidamide?
The canonical SMILES for 2-(2-chloroethoxy)ethanimidamide is [H]/N=C(/N)COCCCl.
What is the InChIKey of 2-(2-chloroethoxy)ethanimidamide?
The InChIKey is HPCOXAIEBXDIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClN2O/c5-1-2-8-3-4(6)7/h1-3H2,(H3,6,7).
What are the key properties of 2-(2-chloroethoxy)ethanimidamide?
2-(2-chloroethoxy)ethanimidamide has a molecular weight of 136.58 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)ethanimidamide is sourced from PubChem (CID 150457610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).