2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide

C11H17N3O — CID 107110059

IUPAC2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)CCO
InChIInChI=1S/C11H17N3O/c1-8-4-3-5-9(11(12)13)10(8)14(2)6-7-15/h3-5,15H,6-7H2,1-2H3,(H3,12,13)
InChIKeyAYZXWXDGLZLYQS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.71
Rot. Bonds4

About 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide

2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 107110059) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
PubChem CID107110059
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)CCO
InChIInChI=1S/C11H17N3O/c1-8-4-3-5-9(11(12)13)10(8)14(2)6-7-15/h3-5,15H,6-7H2,1-2H3,(H3,12,13)
InChIKeyAYZXWXDGLZLYQS-UHFFFAOYSA-N
XLogP0.71
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
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

3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 107110371
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[(4-bromophenyl)methyl-methylamino]-3-methylbenzenecarboximidamide
CID 107110089
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107110036
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107110265
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide
CID 114088595
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 107109995
2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110124

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide (CID 107110059) is 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(C)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is AYZXWXDGLZLYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-4-3-5-9(11(12)13)10(8)14(2)6-7-15/h3-5,15H,6-7H2,1-2H3,(H3,12,13).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide?
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 207.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).