5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide

C11H16ClN3O — CID 62492761

IUPAC5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OCCN(C)C
InChIInChI=1S/C11H16ClN3O/c1-15(2)5-6-16-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,5-6H2,1-2H3,(H3,13,14)
InChIKeyYNFGEODMXHKBHS-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.56
Rot. Bonds5

About 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide

5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide (PubChem CID 62492761) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
PubChem CID62492761
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OCCN(C)C
InChIInChI=1S/C11H16ClN3O/c1-15(2)5-6-16-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,5-6H2,1-2H3,(H3,13,14)
InChIKeyYNFGEODMXHKBHS-UHFFFAOYSA-N
XLogP1.56
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
CID 63667993
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
CID 82004072
5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62494784
2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
CID 55233706
5-chloro-2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoic acid
CID 67057095
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
4-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide (CID 62492761) is 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1OCCN(C)C.
What is the InChIKey of 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide?
The InChIKey is YNFGEODMXHKBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15(2)5-6-16-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,5-6H2,1-2H3,(H3,13,14).
What are the key properties of 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide?
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide has a molecular weight of 241.72 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 62492761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).