2-methyl-3-(4-propoxyphenoxy)propanimidamide

C13H20N2O2 — CID 43175340

IUPAC2-methyl-3-(4-propoxyphenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(OCCC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-8-16-11-4-6-12(7-5-11)17-9-10(2)13(14)15/h4-7,10H,3,8-9H2,1-2H3,(H3,14,15)
InChIKeyOKNKDNRHSCBUJP-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds7

About 2-methyl-3-(4-propoxyphenoxy)propanimidamide

2-methyl-3-(4-propoxyphenoxy)propanimidamide (PubChem CID 43175340) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-3-(4-propoxyphenoxy)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(4-propoxyphenoxy)propanimidamide
PubChem CID43175340
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methyl-3-(4-propoxyphenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(OCCC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-8-16-11-4-6-12(7-5-11)17-9-10(2)13(14)15/h4-7,10H,3,8-9H2,1-2H3,(H3,14,15)
InChIKeyOKNKDNRHSCBUJP-UHFFFAOYSA-N
XLogP2.43
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.43
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

2-methyl-3-(4-methylphenoxy)propanimidamide
CID 43368572
3-(4-propoxyphenoxy)pentanimidamide
CID 43368840
4-butoxybenzenecarboximidamide
CID 3015454
1-(4-propoxyphenoxy)pentan-2-ol
CID 62041723
3-amino-4-(4-propoxyphenoxy)butan-1-ol
CID 64899439
2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542147
3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide
CID 115002336
3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368455
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 114995344
4-octoxybenzenecarboximidamide
CID 3302492
2-methyl-3-(2-nitrophenoxy)propanimidamide
CID 114995802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propoxyphenoxy)propanimidamide?
The IUPAC name of 2-methyl-3-(4-propoxyphenoxy)propanimidamide (CID 43175340) is 2-methyl-3-(4-propoxyphenoxy)propanimidamide.
What is the SMILES notation for 2-methyl-3-(4-propoxyphenoxy)propanimidamide?
The canonical SMILES for 2-methyl-3-(4-propoxyphenoxy)propanimidamide is [H]/N=C(\N)C(C)COc1ccc(OCCC)cc1.
What is the InChIKey of 2-methyl-3-(4-propoxyphenoxy)propanimidamide?
The InChIKey is OKNKDNRHSCBUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-8-16-11-4-6-12(7-5-11)17-9-10(2)13(14)15/h4-7,10H,3,8-9H2,1-2H3,(H3,14,15).
What are the key properties of 2-methyl-3-(4-propoxyphenoxy)propanimidamide?
2-methyl-3-(4-propoxyphenoxy)propanimidamide has a molecular weight of 236.31 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propoxyphenoxy)propanimidamide is sourced from PubChem (CID 43175340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).