3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide

C14H23N3O — CID 107110371

IUPAC3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)CCOC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)18-9-8-17(4)13-11(3)6-5-7-12(13)14(15)16/h5-7,10H,8-9H2,1-4H3,(H3,15,16)
InChIKeyADHOUQMUGAJLCE-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.14
Rot. Bonds6

About 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide

3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide (PubChem CID 107110371) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
PubChem CID107110371
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)CCOC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)18-9-8-17(4)13-11(3)6-5-7-12(13)14(15)16/h5-7,10H,8-9H2,1-4H3,(H3,15,16)
InChIKeyADHOUQMUGAJLCE-UHFFFAOYSA-N
XLogP2.14
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.14
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

2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107110036
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[(4-bromophenyl)methyl-methylamino]-3-methylbenzenecarboximidamide
CID 107110089
2-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbenzenecarboximidamide
CID 107110158
2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110124
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107110265
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
6-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]pyrimidine-4-carboximidamide
CID 107550627
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
CID 81056628

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide (CID 107110371) is 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(C)CCOC(C)C.
What is the InChIKey of 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide?
The InChIKey is ADHOUQMUGAJLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)18-9-8-17(4)13-11(3)6-5-7-12(13)14(15)16/h5-7,10H,8-9H2,1-4H3,(H3,15,16).
What are the key properties of 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide?
3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide has a molecular weight of 249.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 107110371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).