2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide

C13H21N3O2 — CID 81303694

IUPAC2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCOCC
InChIInChI=1S/C13H21N3O2/c1-4-18-8-7-16(2)12-9-10(17-3)5-6-11(12)13(14)15/h5-6,9H,4,7-8H2,1-3H3,(H3,14,15)
InChIKeyGQEJRRRXNDPEJO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.45
Rot. Bonds7

About 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide

2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide (PubChem CID 81303694) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
PubChem CID81303694
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCOCC
InChIInChI=1S/C13H21N3O2/c1-4-18-8-7-16(2)12-9-10(17-3)5-6-11(12)13(14)15/h5-6,9H,4,7-8H2,1-3H3,(H3,14,15)
InChIKeyGQEJRRRXNDPEJO-UHFFFAOYSA-N
XLogP1.45
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.45
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 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide 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

2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854
2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 81300119
2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81302452
4-methoxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81303776
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
CID 81056507
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
CID 81299918
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide (CID 81303694) is 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N(C)CCOCC.
What is the InChIKey of 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide?
The InChIKey is GQEJRRRXNDPEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-8-7-16(2)12-9-10(17-3)5-6-11(12)13(14)15/h5-6,9H,4,7-8H2,1-3H3,(H3,14,15).
What are the key properties of 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide?
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide has a molecular weight of 251.33 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).