4-tert-butyl-N,N-diethylaniline

C14H23N — CID 10632068

IUPAC4-tert-butyl-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23N/c1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeySFAHTJULMBNOGW-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.83
Rot. Bonds3

About 4-tert-butyl-N,N-diethylaniline

4-tert-butyl-N,N-diethylaniline (PubChem CID 10632068) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diethylaniline.

Molecular Properties

Compound Name4-tert-butyl-N,N-diethylaniline
PubChem CID10632068
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-tert-butyl-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23N/c1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeySFAHTJULMBNOGW-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diethylaniline?
The IUPAC name of 4-tert-butyl-N,N-diethylaniline (CID 10632068) is 4-tert-butyl-N,N-diethylaniline.
What is the SMILES notation for 4-tert-butyl-N,N-diethylaniline?
The canonical SMILES for 4-tert-butyl-N,N-diethylaniline is CCN(CC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N,N-diethylaniline?
The InChIKey is SFAHTJULMBNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-N,N-diethylaniline?
4-tert-butyl-N,N-diethylaniline has a molecular weight of 205.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diethylaniline is sourced from PubChem (CID 10632068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).