2,4,6-trimethyl-3-propan-2-ylaniline

C12H19N — CID 121008425

IUPAC2,4,6-trimethyl-3-propan-2-ylaniline
SMILESCc1cc(C)c(C(C)C)c(C)c1N
InChIInChI=1S/C12H19N/c1-7(2)11-8(3)6-9(4)12(13)10(11)5/h6-7H,13H2,1-5H3
InChIKeyKNIOSDLPJBTECB-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.32
Rot. Bonds1

About 2,4,6-trimethyl-3-propan-2-ylaniline

2,4,6-trimethyl-3-propan-2-ylaniline (PubChem CID 121008425) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-propan-2-ylaniline.

Molecular Properties

Compound Name2,4,6-trimethyl-3-propan-2-ylaniline
PubChem CID121008425
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2,4,6-trimethyl-3-propan-2-ylaniline
SMILESCc1cc(C)c(C(C)C)c(C)c1N
InChIInChI=1S/C12H19N/c1-7(2)11-8(3)6-9(4)12(13)10(11)5/h6-7H,13H2,1-5H3
InChIKeyKNIOSDLPJBTECB-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.32
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-trimethyl-3-propan-2-ylaniline?
The IUPAC name of 2,4,6-trimethyl-3-propan-2-ylaniline (CID 121008425) is 2,4,6-trimethyl-3-propan-2-ylaniline.
What is the SMILES notation for 2,4,6-trimethyl-3-propan-2-ylaniline?
The canonical SMILES for 2,4,6-trimethyl-3-propan-2-ylaniline is Cc1cc(C)c(C(C)C)c(C)c1N.
What is the InChIKey of 2,4,6-trimethyl-3-propan-2-ylaniline?
The InChIKey is KNIOSDLPJBTECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-7(2)11-8(3)6-9(4)12(13)10(11)5/h6-7H,13H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-3-propan-2-ylaniline?
2,4,6-trimethyl-3-propan-2-ylaniline has a molecular weight of 177.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-propan-2-ylaniline is sourced from PubChem (CID 121008425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).