3-(2-tert-butylphenyl)-N,N-dimethylaniline

C18H23N — CID 170187811

IUPAC3-(2-tert-butylphenyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C18H23N/c1-18(2,3)17-12-7-6-11-16(17)14-9-8-10-15(13-14)19(4)5/h6-13H,1-5H3
InChIKeyZQOBZLYHTLYRSN-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.72
Rot. Bonds2

About 3-(2-tert-butylphenyl)-N,N-dimethylaniline

3-(2-tert-butylphenyl)-N,N-dimethylaniline (PubChem CID 170187811) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(2-tert-butylphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(2-tert-butylphenyl)-N,N-dimethylaniline
PubChem CID170187811
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name3-(2-tert-butylphenyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C18H23N/c1-18(2,3)17-12-7-6-11-16(17)14-9-8-10-15(13-14)19(4)5/h6-13H,1-5H3
InChIKeyZQOBZLYHTLYRSN-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenyl)-N,N-dimethylaniline?
The IUPAC name of 3-(2-tert-butylphenyl)-N,N-dimethylaniline (CID 170187811) is 3-(2-tert-butylphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(2-tert-butylphenyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(2-tert-butylphenyl)-N,N-dimethylaniline is CN(C)c1cccc(-c2ccccc2C(C)(C)C)c1.
What is the InChIKey of 3-(2-tert-butylphenyl)-N,N-dimethylaniline?
The InChIKey is ZQOBZLYHTLYRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-18(2,3)17-12-7-6-11-16(17)14-9-8-10-15(13-14)19(4)5/h6-13H,1-5H3.
What are the key properties of 3-(2-tert-butylphenyl)-N,N-dimethylaniline?
3-(2-tert-butylphenyl)-N,N-dimethylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 170187811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).