4-(2-propan-2-ylphenoxy)butanimidamide

C13H20N2O — CID 24711306

IUPAC4-(2-propan-2-ylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccccc1C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)11-6-3-4-7-12(11)16-9-5-8-13(14)15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,14,15)
InChIKeyRKMLWWBVMQZCFP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.90
Rot. Bonds6

About 4-(2-propan-2-ylphenoxy)butanimidamide

4-(2-propan-2-ylphenoxy)butanimidamide (PubChem CID 24711306) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2-propan-2-ylphenoxy)butanimidamide.

Molecular Properties

Compound Name4-(2-propan-2-ylphenoxy)butanimidamide
PubChem CID24711306
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2-propan-2-ylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccccc1C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)11-6-3-4-7-12(11)16-9-5-8-13(14)15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,14,15)
InChIKeyRKMLWWBVMQZCFP-UHFFFAOYSA-N
XLogP2.90
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propan-2-ylphenoxy)propanimidamide
CID 24706101
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
CID 24689545
methyl 3-(2-propan-2-ylphenoxy)propanimidate
CID 95444501
4-[2-(trifluoromethyl)phenoxy]butanimidamide
CID 24702923
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
1-octoxy-2-propan-2-ylbenzene
CID 64765685
5-[2-(trifluoromethyl)phenoxy]pentanimidamide
CID 54965748
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylphenoxy)butanimidamide?
The IUPAC name of 4-(2-propan-2-ylphenoxy)butanimidamide (CID 24711306) is 4-(2-propan-2-ylphenoxy)butanimidamide.
What is the SMILES notation for 4-(2-propan-2-ylphenoxy)butanimidamide?
The canonical SMILES for 4-(2-propan-2-ylphenoxy)butanimidamide is [H]/N=C(\N)CCCOc1ccccc1C(C)C.
What is the InChIKey of 4-(2-propan-2-ylphenoxy)butanimidamide?
The InChIKey is RKMLWWBVMQZCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)11-6-3-4-7-12(11)16-9-5-8-13(14)15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,14,15).
What are the key properties of 4-(2-propan-2-ylphenoxy)butanimidamide?
4-(2-propan-2-ylphenoxy)butanimidamide has a molecular weight of 220.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylphenoxy)butanimidamide is sourced from PubChem (CID 24711306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).