2-(3-tert-butylphenyl)-N-methylaniline

C17H21N — CID 167056451

IUPAC2-(3-tert-butylphenyl)-N-methylaniline
SMILESCNc1ccccc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H21N/c1-17(2,3)14-9-7-8-13(12-14)15-10-5-6-11-16(15)18-4/h5-12,18H,1-4H3
InChIKeyYAOWNFQXGCCYGI-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.69
Rot. Bonds2

About 2-(3-tert-butylphenyl)-N-methylaniline

2-(3-tert-butylphenyl)-N-methylaniline (PubChem CID 167056451) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)-N-methylaniline
PubChem CID167056451
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-(3-tert-butylphenyl)-N-methylaniline
SMILESCNc1ccccc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H21N/c1-17(2,3)14-9-7-8-13(12-14)15-10-5-6-11-16(15)18-4/h5-12,18H,1-4H3
InChIKeyYAOWNFQXGCCYGI-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)-N-methylaniline?
The IUPAC name of 2-(3-tert-butylphenyl)-N-methylaniline (CID 167056451) is 2-(3-tert-butylphenyl)-N-methylaniline.
What is the SMILES notation for 2-(3-tert-butylphenyl)-N-methylaniline?
The canonical SMILES for 2-(3-tert-butylphenyl)-N-methylaniline is CNc1ccccc1-c1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenyl)-N-methylaniline?
The InChIKey is YAOWNFQXGCCYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-17(2,3)14-9-7-8-13(12-14)15-10-5-6-11-16(15)18-4/h5-12,18H,1-4H3.
What are the key properties of 2-(3-tert-butylphenyl)-N-methylaniline?
2-(3-tert-butylphenyl)-N-methylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)-N-methylaniline is sourced from PubChem (CID 167056451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).