4-butyl-2-methylaniline

C11H17N — CID 577772

IUPAC4-butyl-2-methylaniline
SMILESCCCCc1ccc(N)c(C)c1
InChIInChI=1S/C11H17N/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8H,3-5,12H2,1-2H3
InChIKeyJTXOXRXZCAMPHL-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.92
Rot. Bonds3

About 4-butyl-2-methylaniline

4-butyl-2-methylaniline (PubChem CID 577772) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-butyl-2-methylaniline.

Molecular Properties

Compound Name4-butyl-2-methylaniline
PubChem CID577772
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-butyl-2-methylaniline
SMILESCCCCc1ccc(N)c(C)c1
InChIInChI=1S/C11H17N/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8H,3-5,12H2,1-2H3
InChIKeyJTXOXRXZCAMPHL-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methylaniline?
The IUPAC name of 4-butyl-2-methylaniline (CID 577772) is 4-butyl-2-methylaniline.
What is the SMILES notation for 4-butyl-2-methylaniline?
The canonical SMILES for 4-butyl-2-methylaniline is CCCCc1ccc(N)c(C)c1.
What is the InChIKey of 4-butyl-2-methylaniline?
The InChIKey is JTXOXRXZCAMPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8H,3-5,12H2,1-2H3.
What are the key properties of 4-butyl-2-methylaniline?
4-butyl-2-methylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methylaniline is sourced from PubChem (CID 577772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).