4-tert-butyl-N-methyl-2-propylaniline

C14H23N — CID 130296266

IUPAC4-tert-butyl-N-methyl-2-propylaniline
SMILESCCCc1cc(C(C)(C)C)ccc1NC
InChIInChI=1S/C14H23N/c1-6-7-11-10-12(14(2,3)4)8-9-13(11)15-5/h8-10,15H,6-7H2,1-5H3
InChIKeyAEKJNMSJBJZWGN-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.98
Rot. Bonds3

About 4-tert-butyl-N-methyl-2-propylaniline

4-tert-butyl-N-methyl-2-propylaniline (PubChem CID 130296266) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-propylaniline.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-propylaniline
PubChem CID130296266
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-tert-butyl-N-methyl-2-propylaniline
SMILESCCCc1cc(C(C)(C)C)ccc1NC
InChIInChI=1S/C14H23N/c1-6-7-11-10-12(14(2,3)4)8-9-13(11)15-5/h8-10,15H,6-7H2,1-5H3
InChIKeyAEKJNMSJBJZWGN-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-propylaniline?
The IUPAC name of 4-tert-butyl-N-methyl-2-propylaniline (CID 130296266) is 4-tert-butyl-N-methyl-2-propylaniline.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-propylaniline?
The canonical SMILES for 4-tert-butyl-N-methyl-2-propylaniline is CCCc1cc(C(C)(C)C)ccc1NC.
What is the InChIKey of 4-tert-butyl-N-methyl-2-propylaniline?
The InChIKey is AEKJNMSJBJZWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-7-11-10-12(14(2,3)4)8-9-13(11)15-5/h8-10,15H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-N-methyl-2-propylaniline?
4-tert-butyl-N-methyl-2-propylaniline has a molecular weight of 205.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-2-propylaniline is sourced from PubChem (CID 130296266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).