3-(3,4-dimethylphenoxy)pentanimidamide

C13H20N2O — CID 43368304

IUPAC3-(3,4-dimethylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O/c1-4-11(8-13(14)15)16-12-6-5-9(2)10(3)7-12/h5-7,11H,4,8H2,1-3H3,(H3,14,15)
InChIKeyDMYLPQDDUUWVRC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.79
Rot. Bonds5

About 3-(3,4-dimethylphenoxy)pentanimidamide

3-(3,4-dimethylphenoxy)pentanimidamide (PubChem CID 43368304) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)pentanimidamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)pentanimidamide
PubChem CID43368304
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(3,4-dimethylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O/c1-4-11(8-13(14)15)16-12-6-5-9(2)10(3)7-12/h5-7,11H,4,8H2,1-3H3,(H3,14,15)
InChIKeyDMYLPQDDUUWVRC-UHFFFAOYSA-N
XLogP2.79
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-propoxyphenoxy)pentanimidamide
CID 43368840
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449
3-(2-fluorophenoxy)pentanimidamide
CID 43368257
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide
CID 43368956
3-(2,5-dimethylphenyl)sulfanylpentanimidamide
CID 43175421
1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine
CID 143718335
2-(3,4-dimethylphenoxy)propan-1-amine
CID 17169740
3-(2-ethoxyethoxy)pentanimidamide
CID 43368509
3-(4-tert-butyl-2-methylphenoxy)butanimidamide
CID 114997400
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
CID 53284317
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)pentanimidamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)pentanimidamide (CID 43368304) is 3-(3,4-dimethylphenoxy)pentanimidamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)pentanimidamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)pentanimidamide is [H]/N=C(\N)CC(CC)Oc1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenoxy)pentanimidamide?
The InChIKey is DMYLPQDDUUWVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-11(8-13(14)15)16-12-6-5-9(2)10(3)7-12/h5-7,11H,4,8H2,1-3H3,(H3,14,15).
What are the key properties of 3-(3,4-dimethylphenoxy)pentanimidamide?
3-(3,4-dimethylphenoxy)pentanimidamide has a molecular weight of 220.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)pentanimidamide is sourced from PubChem (CID 43368304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).