3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide

C15H24N2O — CID 114997399

IUPAC3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-5-15(3,4)12-6-8-13(9-7-12)18-11(2)10-14(16)17/h6-9,11H,5,10H2,1-4H3,(H3,16,17)
InChIKeyIRURRTXNNDIJHZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.47
Rot. Bonds6

About 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide

3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide (PubChem CID 114997399) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide.

Molecular Properties

Compound Name3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide
PubChem CID114997399
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-5-15(3,4)12-6-8-13(9-7-12)18-11(2)10-14(16)17/h6-9,11H,5,10H2,1-4H3,(H3,16,17)
InChIKeyIRURRTXNNDIJHZ-UHFFFAOYSA-N
XLogP3.47
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.47
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-phenoxybutanimidamide
CID 114995804
3-(4-tert-butyl-2-methylphenoxy)butanimidamide
CID 114997400
3-[4-(2-methoxyethyl)phenoxy]butanimidamide
CID 114997080
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
CID 62214691
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanimidamide
CID 63524867
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 62571520
3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
CID 63575995
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
CID 158994420
3,3-bis(4-tert-butylphenyl)propanimidamide
CID 59850010
3-(2,3-difluorophenoxy)butanimidamide
CID 114988073

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide?
The IUPAC name of 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide (CID 114997399) is 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide.
What is the SMILES notation for 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide?
The canonical SMILES for 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide is [H]/N=C(\N)CC(C)Oc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide?
The InChIKey is IRURRTXNNDIJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-15(3,4)12-6-8-13(9-7-12)18-11(2)10-14(16)17/h6-9,11H,5,10H2,1-4H3,(H3,16,17).
What are the key properties of 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide?
3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide has a molecular weight of 248.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide is sourced from PubChem (CID 114997399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).