3-(2-propan-2-ylphenoxy)propanimidamide

C12H18N2O — CID 24706101

IUPAC3-(2-propan-2-ylphenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1ccccc1C(C)C
InChIInChI=1S/C12H18N2O/c1-9(2)10-5-3-4-6-11(10)15-8-7-12(13)14/h3-6,9H,7-8H2,1-2H3,(H3,13,14)
InChIKeyDBHWTEQMHMXIOZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.51
Rot. Bonds5

About 3-(2-propan-2-ylphenoxy)propanimidamide

3-(2-propan-2-ylphenoxy)propanimidamide (PubChem CID 24706101) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(2-propan-2-ylphenoxy)propanimidamide.

Molecular Properties

Compound Name3-(2-propan-2-ylphenoxy)propanimidamide
PubChem CID24706101
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(2-propan-2-ylphenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1ccccc1C(C)C
InChIInChI=1S/C12H18N2O/c1-9(2)10-5-3-4-6-11(10)15-8-7-12(13)14/h3-6,9H,7-8H2,1-2H3,(H3,13,14)
InChIKeyDBHWTEQMHMXIOZ-UHFFFAOYSA-N
XLogP2.51
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.51
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-(2-propan-2-ylphenoxy)butanimidamide
CID 24711306
methyl 3-(2-propan-2-ylphenoxy)propanimidate
CID 95444501
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
CID 24689545
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
1-octoxy-2-propan-2-ylbenzene
CID 64765685
3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279505
2-amino-4-(2-propan-2-ylphenoxy)butanoic acid
CID 63039168
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylphenoxy)propanimidamide?
The IUPAC name of 3-(2-propan-2-ylphenoxy)propanimidamide (CID 24706101) is 3-(2-propan-2-ylphenoxy)propanimidamide.
What is the SMILES notation for 3-(2-propan-2-ylphenoxy)propanimidamide?
The canonical SMILES for 3-(2-propan-2-ylphenoxy)propanimidamide is [H]/N=C(\N)CCOc1ccccc1C(C)C.
What is the InChIKey of 3-(2-propan-2-ylphenoxy)propanimidamide?
The InChIKey is DBHWTEQMHMXIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)10-5-3-4-6-11(10)15-8-7-12(13)14/h3-6,9H,7-8H2,1-2H3,(H3,13,14).
What are the key properties of 3-(2-propan-2-ylphenoxy)propanimidamide?
3-(2-propan-2-ylphenoxy)propanimidamide has a molecular weight of 206.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylphenoxy)propanimidamide is sourced from PubChem (CID 24706101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).