2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide

C15H24ClN3O2 — CID 82939011

IUPAC2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCOCC)CCOCC
InChIInChI=1S/C15H24ClN3O2/c1-3-20-9-7-19(8-10-21-4-2)14-11-12(16)5-6-13(14)15(17)18/h5-6,11H,3-4,7-10H2,1-2H3,(H3,17,18)
InChIKeyLZEMTAUCCKDTOA-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.50
Rot. Bonds10

About 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide

2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide (PubChem CID 82939011) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
PubChem CID82939011
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCOCC)CCOCC
InChIInChI=1S/C15H24ClN3O2/c1-3-20-9-7-19(8-10-21-4-2)14-11-12(16)5-6-13(14)15(17)18/h5-6,11H,3-4,7-10H2,1-2H3,(H3,17,18)
InChIKeyLZEMTAUCCKDTOA-UHFFFAOYSA-N
XLogP2.50
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.50
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'}

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Related Compounds

4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 55180610
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801
4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63092339
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
CID 63093350
4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63094375
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-[2-ethoxyethyl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 55227881

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide?
The IUPAC name of 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide (CID 82939011) is 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide?
The canonical SMILES for 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(CCOCC)CCOCC.
What is the InChIKey of 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide?
The InChIKey is LZEMTAUCCKDTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-3-20-9-7-19(8-10-21-4-2)14-11-12(16)5-6-13(14)15(17)18/h5-6,11H,3-4,7-10H2,1-2H3,(H3,17,18).
What are the key properties of 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide?
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide has a molecular weight of 313.83 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide is sourced from PubChem (CID 82939011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).