3-(3-tert-butylphenoxy)propanimidamide

C13H20N2O — CID 43351835

IUPAC3-(3-tert-butylphenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H20N2O/c1-13(2,3)10-5-4-6-11(9-10)16-8-7-12(14)15/h4-6,9H,7-8H2,1-3H3,(H3,14,15)
InChIKeyBLWDQJVJVUBVRG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.69
Rot. Bonds4

About 3-(3-tert-butylphenoxy)propanimidamide

3-(3-tert-butylphenoxy)propanimidamide (PubChem CID 43351835) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(3-tert-butylphenoxy)propanimidamide.

Molecular Properties

Compound Name3-(3-tert-butylphenoxy)propanimidamide
PubChem CID43351835
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(3-tert-butylphenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H20N2O/c1-13(2,3)10-5-4-6-11(9-10)16-8-7-12(14)15/h4-6,9H,7-8H2,1-3H3,(H3,14,15)
InChIKeyBLWDQJVJVUBVRG-UHFFFAOYSA-N
XLogP2.69
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.69
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

4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide
CID 159651622
3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
CID 43169674
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
CID 109374748
4-(3-ethylphenoxy)butanimidamide
CID 24704166
methyl 2-(3-tert-butylphenoxy)ethanimidate
CID 95444504
1-(3-tert-butylphenoxy)-4-methylpentan-3-one
CID 39351110
tert-butyl 3-(3-tert-butylphenoxy)propanoate
CID 116659158
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
CID 43351837
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenoxy)propanimidamide?
The IUPAC name of 3-(3-tert-butylphenoxy)propanimidamide (CID 43351835) is 3-(3-tert-butylphenoxy)propanimidamide.
What is the SMILES notation for 3-(3-tert-butylphenoxy)propanimidamide?
The canonical SMILES for 3-(3-tert-butylphenoxy)propanimidamide is [H]/N=C(\N)CCOc1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butylphenoxy)propanimidamide?
The InChIKey is BLWDQJVJVUBVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)10-5-4-6-11(9-10)16-8-7-12(14)15/h4-6,9H,7-8H2,1-3H3,(H3,14,15).
What are the key properties of 3-(3-tert-butylphenoxy)propanimidamide?
3-(3-tert-butylphenoxy)propanimidamide has a molecular weight of 220.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenoxy)propanimidamide is sourced from PubChem (CID 43351835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).