3-(3-methylphenoxy)pentanimidamide

C12H18N2O — CID 43368318

IUPAC3-(3-methylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1cccc(C)c1
InChIInChI=1S/C12H18N2O/c1-3-10(8-12(13)14)15-11-6-4-5-9(2)7-11/h4-7,10H,3,8H2,1-2H3,(H3,13,14)
InChIKeyPOCLPPZLTZATHK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.48
Rot. Bonds5

About 3-(3-methylphenoxy)pentanimidamide

3-(3-methylphenoxy)pentanimidamide (PubChem CID 43368318) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(3-methylphenoxy)pentanimidamide.

Molecular Properties

Compound Name3-(3-methylphenoxy)pentanimidamide
PubChem CID43368318
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(3-methylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1cccc(C)c1
InChIInChI=1S/C12H18N2O/c1-3-10(8-12(13)14)15-11-6-4-5-9(2)7-11/h4-7,10H,3,8H2,1-2H3,(H3,13,14)
InChIKeyPOCLPPZLTZATHK-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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-(3,4-dimethylphenoxy)pentanimidamide
CID 43368304
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449
3-(2-fluorophenoxy)pentanimidamide
CID 43368257
3-(4-nitrophenoxy)pentanimidamide
CID 114996514
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
1,3-di(pentan-3-yloxy)benzene
CID 91386050
3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide
CID 120502281
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800259
2-[2-(3-methylphenoxy)butyl]-1-phenylguanidine;hydroiodide
CID 111800265
2-(3-methylphenoxy)butanoic acid
CID 4778922
3-phenoxybutanimidamide
CID 114995804
3-(3-tert-butylphenoxy)pentanethioamide
CID 43368943

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)pentanimidamide?
The IUPAC name of 3-(3-methylphenoxy)pentanimidamide (CID 43368318) is 3-(3-methylphenoxy)pentanimidamide.
What is the SMILES notation for 3-(3-methylphenoxy)pentanimidamide?
The canonical SMILES for 3-(3-methylphenoxy)pentanimidamide is [H]/N=C(\N)CC(CC)Oc1cccc(C)c1.
What is the InChIKey of 3-(3-methylphenoxy)pentanimidamide?
The InChIKey is POCLPPZLTZATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10(8-12(13)14)15-11-6-4-5-9(2)7-11/h4-7,10H,3,8H2,1-2H3,(H3,13,14).
What are the key properties of 3-(3-methylphenoxy)pentanimidamide?
3-(3-methylphenoxy)pentanimidamide has a molecular weight of 206.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)pentanimidamide is sourced from PubChem (CID 43368318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).