2,4,6-tri(propan-2-yl)aniline

C15H25N — CID 519871

IUPAC2,4,6-tri(propan-2-yl)aniline
SMILESCC(C)c1cc(C(C)C)c(N)c(C(C)C)c1
InChIInChI=1S/C15H25N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3
InChIKeyFQFPALKHIHTSNY-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.64
Rot. Bonds3

About 2,4,6-tri(propan-2-yl)aniline

2,4,6-tri(propan-2-yl)aniline (PubChem CID 519871) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)aniline.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)aniline
PubChem CID519871
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,4,6-tri(propan-2-yl)aniline
SMILESCC(C)c1cc(C(C)C)c(N)c(C(C)C)c1
InChIInChI=1S/C15H25N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3
InChIKeyFQFPALKHIHTSNY-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.64
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 2,4,6-tri(propan-2-yl)aniline?
The IUPAC name of 2,4,6-tri(propan-2-yl)aniline (CID 519871) is 2,4,6-tri(propan-2-yl)aniline.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)aniline?
The canonical SMILES for 2,4,6-tri(propan-2-yl)aniline is CC(C)c1cc(C(C)C)c(N)c(C(C)C)c1.
What is the InChIKey of 2,4,6-tri(propan-2-yl)aniline?
The InChIKey is FQFPALKHIHTSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yl)aniline?
2,4,6-tri(propan-2-yl)aniline has a molecular weight of 219.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)aniline is sourced from PubChem (CID 519871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).