2,3-dibutyl-4-methoxyaniline

C15H25NO — CID 175061118

IUPAC2,3-dibutyl-4-methoxyaniline
SMILESCCCCc1c(N)ccc(OC)c1CCCC
InChIInChI=1S/C15H25NO/c1-4-6-8-12-13(9-7-5-2)15(17-3)11-10-14(12)16/h10-11H,4-9,16H2,1-3H3
InChIKeyHKSZPMUEEPNFHL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.96
Rot. Bonds7

About 2,3-dibutyl-4-methoxyaniline

2,3-dibutyl-4-methoxyaniline (PubChem CID 175061118) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,3-dibutyl-4-methoxyaniline.

Molecular Properties

Compound Name2,3-dibutyl-4-methoxyaniline
PubChem CID175061118
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,3-dibutyl-4-methoxyaniline
SMILESCCCCc1c(N)ccc(OC)c1CCCC
InChIInChI=1S/C15H25NO/c1-4-6-8-12-13(9-7-5-2)15(17-3)11-10-14(12)16/h10-11H,4-9,16H2,1-3H3
InChIKeyHKSZPMUEEPNFHL-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-4-methoxyaniline?
The IUPAC name of 2,3-dibutyl-4-methoxyaniline (CID 175061118) is 2,3-dibutyl-4-methoxyaniline.
What is the SMILES notation for 2,3-dibutyl-4-methoxyaniline?
The canonical SMILES for 2,3-dibutyl-4-methoxyaniline is CCCCc1c(N)ccc(OC)c1CCCC.
What is the InChIKey of 2,3-dibutyl-4-methoxyaniline?
The InChIKey is HKSZPMUEEPNFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-8-12-13(9-7-5-2)15(17-3)11-10-14(12)16/h10-11H,4-9,16H2,1-3H3.
What are the key properties of 2,3-dibutyl-4-methoxyaniline?
2,3-dibutyl-4-methoxyaniline has a molecular weight of 235.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4-methoxyaniline is sourced from PubChem (CID 175061118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).