4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride

C11H18ClN3O — CID 82240588

IUPAC4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C11H17N3O.ClH/c1-14(2)7-8-15-10-5-3-9(4-6-10)11(12)13;/h3-6H,7-8H2,1-2H3,(H3,12,13);1H
InChIKeyGOYNKENIBMTDBP-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.33
Rot. Bonds5

About 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride

4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride (PubChem CID 82240588) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
PubChem CID82240588
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C11H17N3O.ClH/c1-14(2)7-8-15-10-5-3-9(4-6-10)11(12)13;/h3-6H,7-8H2,1-2H3,(H3,12,13);1H
InChIKeyGOYNKENIBMTDBP-UHFFFAOYSA-N
XLogP1.33
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.33
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-[2-[bis[2-(4-carbamimidoylphenoxy)ethyl]amino]ethoxy]benzenecarboximidamide
CID 139715205
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
CID 61377522
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
4-butoxybenzenecarboximidamide
CID 3015454
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-octoxybenzenecarboximidamide
CID 3302492
N-[2-[acetyl-[3-(4-carbamimidoylphenoxy)propyl]amino]ethyl]-N-[3-(4-carbamimidoylphenoxy)propyl]acetamide
CID 10152289
4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 61058800

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride (CID 82240588) is 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride?
The InChIKey is GOYNKENIBMTDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-14(2)7-8-15-10-5-3-9(4-6-10)11(12)13;/h3-6H,7-8H2,1-2H3,(H3,12,13);1H.
What are the key properties of 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride?
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82240588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).