N-(4-tert-butylphenyl)-N,2-dimethylaniline

C18H23N — CID 70891346

IUPACN-(4-tert-butylphenyl)-N,2-dimethylaniline
SMILESCc1ccccc1N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23N/c1-14-8-6-7-9-17(14)19(5)16-12-10-15(11-13-16)18(2,3)4/h6-13H,1-5H3
InChIKeyLBHUWOURXZEBMN-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.06
Rot. Bonds2

About N-(4-tert-butylphenyl)-N,2-dimethylaniline

N-(4-tert-butylphenyl)-N,2-dimethylaniline (PubChem CID 70891346) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N,2-dimethylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N,2-dimethylaniline
PubChem CID70891346
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-(4-tert-butylphenyl)-N,2-dimethylaniline
SMILESCc1ccccc1N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23N/c1-14-8-6-7-9-17(14)19(5)16-12-10-15(11-13-16)18(2,3)4/h6-13H,1-5H3
InChIKeyLBHUWOURXZEBMN-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N,2-dimethylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-N,2-dimethylaniline (CID 70891346) is N-(4-tert-butylphenyl)-N,2-dimethylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N,2-dimethylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N,2-dimethylaniline is Cc1ccccc1N(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N,2-dimethylaniline?
The InChIKey is LBHUWOURXZEBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-8-6-7-9-17(14)19(5)16-12-10-15(11-13-16)18(2,3)4/h6-13H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N,2-dimethylaniline?
N-(4-tert-butylphenyl)-N,2-dimethylaniline has a molecular weight of 253.39 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N,2-dimethylaniline is sourced from PubChem (CID 70891346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).