2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide

C13H21N3O2 — CID 55056725

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(C)CC(O)COC
InChIInChI=1S/C13H21N3O2/c1-9-4-5-11(13(14)15)12(6-9)16(2)7-10(17)8-18-3/h4-6,10,17H,7-8H2,1-3H3,(H3,14,15)
InChIKeyHWPSWIVJFLVTDR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.72
Rot. Bonds6

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide (PubChem CID 55056725) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
PubChem CID55056725
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(C)CC(O)COC
InChIInChI=1S/C13H21N3O2/c1-9-4-5-11(13(14)15)12(6-9)16(2)7-10(17)8-18-3/h4-6,10,17H,7-8H2,1-3H3,(H3,14,15)
InChIKeyHWPSWIVJFLVTDR-UHFFFAOYSA-N
XLogP0.72
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide 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-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzenecarboximidamide
CID 81279443
2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide
CID 62308476
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 62308122
5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107930328
2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide
CID 62308130
5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
CID 113321215
2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55057250
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide (CID 55056725) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N(C)CC(O)COC.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide?
The InChIKey is HWPSWIVJFLVTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-4-5-11(13(14)15)12(6-9)16(2)7-10(17)8-18-3/h4-6,10,17H,7-8H2,1-3H3,(H3,14,15).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide has a molecular weight of 251.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 55056725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).