4-tert-butyl-2-chloro-N-propan-2-ylaniline

C13H20ClN — CID 135235361

IUPAC4-tert-butyl-2-chloro-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C13H20ClN/c1-9(2)15-12-7-6-10(8-11(12)14)13(3,4)5/h6-9,15H,1-5H3
InChIKeyZEUGHXUCEDHVKA-UHFFFAOYSA-N
MW225.76 g/mol
LogP4.46
Rot. Bonds2

About 4-tert-butyl-2-chloro-N-propan-2-ylaniline

4-tert-butyl-2-chloro-N-propan-2-ylaniline (PubChem CID 135235361) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-N-propan-2-ylaniline
PubChem CID135235361
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name4-tert-butyl-2-chloro-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C13H20ClN/c1-9(2)15-12-7-6-10(8-11(12)14)13(3,4)5/h6-9,15H,1-5H3
InChIKeyZEUGHXUCEDHVKA-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-N-propan-2-ylaniline?
The IUPAC name of 4-tert-butyl-2-chloro-N-propan-2-ylaniline (CID 135235361) is 4-tert-butyl-2-chloro-N-propan-2-ylaniline.
What is the SMILES notation for 4-tert-butyl-2-chloro-N-propan-2-ylaniline?
The canonical SMILES for 4-tert-butyl-2-chloro-N-propan-2-ylaniline is CC(C)Nc1ccc(C(C)(C)C)cc1Cl.
What is the InChIKey of 4-tert-butyl-2-chloro-N-propan-2-ylaniline?
The InChIKey is ZEUGHXUCEDHVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-9(2)15-12-7-6-10(8-11(12)14)13(3,4)5/h6-9,15H,1-5H3.
What are the key properties of 4-tert-butyl-2-chloro-N-propan-2-ylaniline?
4-tert-butyl-2-chloro-N-propan-2-ylaniline has a molecular weight of 225.76 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-N-propan-2-ylaniline is sourced from PubChem (CID 135235361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).