3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide

C13H19ClN2O3 — CID 103402785

IUPAC3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCOCCOC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-17-7-8-18-5-2-6-19-12-4-3-10(13(15)16)9-11(12)14/h3-4,9H,2,5-8H2,1H3,(H3,15,16)
InChIKeyBOKAYHYOKKTWLW-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.06
Rot. Bonds9

About 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide

3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide (PubChem CID 103402785) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
PubChem CID103402785
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCOCCOC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-17-7-8-18-5-2-6-19-12-4-3-10(13(15)16)9-11(12)14/h3-4,9H,2,5-8H2,1H3,(H3,15,16)
InChIKeyBOKAYHYOKKTWLW-UHFFFAOYSA-N
XLogP2.06
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177914
3-chloro-4-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177657
3-chloro-4-(3-methylbutoxy)benzenecarboximidamide
CID 61388930
4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 115468146
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
3-chloro-4-(3-ethylsulfonylpropoxy)benzenecarboximidamide
CID 65093024
3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402805
4-(2-butoxyethoxymethyl)-3-chlorobenzenecarboximidamide
CID 102668129
(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410329
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
CID 103410565
3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide
CID 63089058

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide (CID 103402785) is 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCOCCOC)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
The InChIKey is BOKAYHYOKKTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-17-7-8-18-5-2-6-19-12-4-3-10(13(15)16)9-11(12)14/h3-4,9H,2,5-8H2,1H3,(H3,15,16).
What are the key properties of 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide has a molecular weight of 286.76 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide is sourced from PubChem (CID 103402785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).