3-(2-methoxy-4-methylphenoxy)pentanimidamide

C13H20N2O2 — CID 43368449

IUPAC3-(2-methoxy-4-methylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc(C)cc1OC
InChIInChI=1S/C13H20N2O2/c1-4-10(8-13(14)15)17-11-6-5-9(2)7-12(11)16-3/h5-7,10H,4,8H2,1-3H3,(H3,14,15)
InChIKeyVVGODESEGTVEBE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.49
Rot. Bonds6

About 3-(2-methoxy-4-methylphenoxy)pentanimidamide

3-(2-methoxy-4-methylphenoxy)pentanimidamide (PubChem CID 43368449) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)pentanimidamide.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)pentanimidamide
PubChem CID43368449
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(2-methoxy-4-methylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc(C)cc1OC
InChIInChI=1S/C13H20N2O2/c1-4-10(8-13(14)15)17-11-6-5-9(2)7-12(11)16-3/h5-7,10H,4,8H2,1-3H3,(H3,14,15)
InChIKeyVVGODESEGTVEBE-UHFFFAOYSA-N
XLogP2.49
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.49
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

3-(3-methylphenoxy)pentanimidamide
CID 43368318
3-(3,4-dimethylphenoxy)pentanimidamide
CID 43368304
1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one
CID 144508137
3-(2-fluorophenoxy)pentanimidamide
CID 43368257
4-(2-methoxy-4-methylphenoxy)butanimidamide
CID 24691030
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368455
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide
CID 43368956
3-(2-bromo-4-methylphenoxy)pentanethioamide
CID 43368801
5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)pentanimidamide?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)pentanimidamide (CID 43368449) is 3-(2-methoxy-4-methylphenoxy)pentanimidamide.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)pentanimidamide?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)pentanimidamide is [H]/N=C(\N)CC(CC)Oc1ccc(C)cc1OC.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)pentanimidamide?
The InChIKey is VVGODESEGTVEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10(8-13(14)15)17-11-6-5-9(2)7-12(11)16-3/h5-7,10H,4,8H2,1-3H3,(H3,14,15).
What are the key properties of 3-(2-methoxy-4-methylphenoxy)pentanimidamide?
3-(2-methoxy-4-methylphenoxy)pentanimidamide has a molecular weight of 236.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)pentanimidamide is sourced from PubChem (CID 43368449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).