4-(2-butan-2-ylphenoxy)butanimidamide

C14H22N2O — CID 24708154

IUPAC4-(2-butan-2-ylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccccc1C(C)CC
InChIInChI=1S/C14H22N2O/c1-3-11(2)12-7-4-5-8-13(12)17-10-6-9-14(15)16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H3,15,16)
InChIKeyATAQZHYMKYJNKC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.30
Rot. Bonds7

About 4-(2-butan-2-ylphenoxy)butanimidamide

4-(2-butan-2-ylphenoxy)butanimidamide (PubChem CID 24708154) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(2-butan-2-ylphenoxy)butanimidamide.

Molecular Properties

Compound Name4-(2-butan-2-ylphenoxy)butanimidamide
PubChem CID24708154
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(2-butan-2-ylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccccc1C(C)CC
InChIInChI=1S/C14H22N2O/c1-3-11(2)12-7-4-5-8-13(12)17-10-6-9-14(15)16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H3,15,16)
InChIKeyATAQZHYMKYJNKC-UHFFFAOYSA-N
XLogP3.30
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
3-(2-propan-2-ylphenoxy)propanimidamide
CID 24706101
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
4-[2-(trifluoromethyl)phenoxy]butanimidamide
CID 24702923
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
2-[(2-butan-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 103066748
2-amino-4-(2-butan-2-ylphenoxy)-2-methylbutan-1-ol
CID 64804981

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylphenoxy)butanimidamide?
The IUPAC name of 4-(2-butan-2-ylphenoxy)butanimidamide (CID 24708154) is 4-(2-butan-2-ylphenoxy)butanimidamide.
What is the SMILES notation for 4-(2-butan-2-ylphenoxy)butanimidamide?
The canonical SMILES for 4-(2-butan-2-ylphenoxy)butanimidamide is [H]/N=C(\N)CCCOc1ccccc1C(C)CC.
What is the InChIKey of 4-(2-butan-2-ylphenoxy)butanimidamide?
The InChIKey is ATAQZHYMKYJNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-11(2)12-7-4-5-8-13(12)17-10-6-9-14(15)16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H3,15,16).
What are the key properties of 4-(2-butan-2-ylphenoxy)butanimidamide?
4-(2-butan-2-ylphenoxy)butanimidamide has a molecular weight of 234.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-ylphenoxy)butanimidamide is sourced from PubChem (CID 24708154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).