3-[2-(dimethylamino)ethoxy]benzenecarboximidamide

C11H17N3O — CID 24702581

IUPAC3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C11H17N3O/c1-14(2)6-7-15-10-5-3-4-9(8-10)11(12)13/h3-5,8H,6-7H2,1-2H3,(H3,12,13)
InChIKeySJAYBXISVFVCGZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.91
Rot. Bonds5

About 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide

3-[2-(dimethylamino)ethoxy]benzenecarboximidamide (PubChem CID 24702581) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
PubChem CID24702581
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C11H17N3O/c1-14(2)6-7-15-10-5-3-4-9(8-10)11(12)13/h3-5,8H,6-7H2,1-2H3,(H3,12,13)
InChIKeySJAYBXISVFVCGZ-UHFFFAOYSA-N
XLogP0.91
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.91
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-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
3-[2-(3-bromophenoxy)ethyl-methylamino]benzenecarboximidamide
CID 62971878
3-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 115514127
(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
CID 24701950
3-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarboximidamide
CID 61491165
3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315
(2S)-2-amino-N-[3-(3-carbamimidoylphenoxy)propyl]propanamide
CID 59749242
N-[2-(3-carbamimidoylphenoxy)ethyl]-N-(4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 87594020
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
3-[2-[3-(dimethylamino)propyl-methylamino]ethoxy]benzenecarbothioamide
CID 63694187

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide (CID 24702581) is 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCCN(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide?
The InChIKey is SJAYBXISVFVCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14(2)6-7-15-10-5-3-4-9(8-10)11(12)13/h3-5,8H,6-7H2,1-2H3,(H3,12,13).
What are the key properties of 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide?
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide has a molecular weight of 207.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 24702581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).