4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide

C13H21N3O — CID 114483433

IUPAC4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCOC)c(C)c1
InChIInChI=1S/C13H21N3O/c1-10-8-11(13(14)15)4-5-12(10)9-16(2)6-7-17-3/h4-5,8H,6-7,9H2,1-3H3,(H3,14,15)
InChIKeyPOVXYRLEIPMHMZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.36
Rot. Bonds6

About 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide

4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483433) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
PubChem CID114483433
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCOC)c(C)c1
InChIInChI=1S/C13H21N3O/c1-10-8-11(13(14)15)4-5-12(10)9-16(2)6-7-17-3/h4-5,8H,6-7,9H2,1-3H3,(H3,14,15)
InChIKeyPOVXYRLEIPMHMZ-UHFFFAOYSA-N
XLogP1.36
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.36
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-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483465
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 107200228
N'-hydroxy-4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114482519
3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 114483390
4-[(2-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483505
4-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514
3-methyl-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]benzenecarboximidamide
CID 114483605
4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483506
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide
CID 61446080
4-[(4-ethyl-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483508

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide (CID 114483433) is 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CCOC)c(C)c1.
What is the InChIKey of 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is POVXYRLEIPMHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-11(13(14)15)4-5-12(10)9-16(2)6-7-17-3/h4-5,8H,6-7,9H2,1-3H3,(H3,14,15).
What are the key properties of 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 235.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).