4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide

C15H25N3O — CID 106790577

IUPAC4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CC(C)C)cc1OC
InChIInChI=1S/C15H25N3O/c1-5-18(9-11(2)3)10-12-6-7-13(15(16)17)14(8-12)19-4/h6-8,11H,5,9-10H2,1-4H3,(H3,16,17)
InChIKeyRPNJPKBCSJTEOY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.46
Rot. Bonds7

About 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide

4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide (PubChem CID 106790577) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
PubChem CID106790577
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CC(C)C)cc1OC
InChIInChI=1S/C15H25N3O/c1-5-18(9-11(2)3)10-12-6-7-13(15(16)17)14(8-12)19-4/h6-8,11H,5,9-10H2,1-4H3,(H3,16,17)
InChIKeyRPNJPKBCSJTEOY-UHFFFAOYSA-N
XLogP2.46
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.46
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'}

Analyze 4-[[ethyl(2-methylpropyl)amino]methyl]-2-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

4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790693
2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106790881
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790755
2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 106790768
2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 106791408
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
2-methoxy-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 106788809
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide (CID 106790577) is 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CC)CC(C)C)cc1OC.
What is the InChIKey of 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is RPNJPKBCSJTEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(9-11(2)3)10-12-6-7-13(15(16)17)14(8-12)19-4/h6-8,11H,5,9-10H2,1-4H3,(H3,16,17).
What are the key properties of 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide?
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 263.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106790577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).