2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline

C20H27N — CID 155616430

IUPAC2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline
SMILESCc1cccc(C)c1N(c1ccccc1C(C)C)C(C)C
InChIInChI=1S/C20H27N/c1-14(2)18-12-7-8-13-19(18)21(15(3)4)20-16(5)10-9-11-17(20)6/h7-15H,1-6H3
InChIKeyZSPKPXRVBARREA-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.97
Rot. Bonds4

About 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline

2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline (PubChem CID 155616430) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline
PubChem CID155616430
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline
SMILESCc1cccc(C)c1N(c1ccccc1C(C)C)C(C)C
InChIInChI=1S/C20H27N/c1-14(2)18-12-7-8-13-19(18)21(15(3)4)20-16(5)10-9-11-17(20)6/h7-15H,1-6H3
InChIKeyZSPKPXRVBARREA-UHFFFAOYSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline?
The IUPAC name of 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline (CID 155616430) is 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline.
What is the SMILES notation for 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline?
The canonical SMILES for 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline is Cc1cccc(C)c1N(c1ccccc1C(C)C)C(C)C.
What is the InChIKey of 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline?
The InChIKey is ZSPKPXRVBARREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14(2)18-12-7-8-13-19(18)21(15(3)4)20-16(5)10-9-11-17(20)6/h7-15H,1-6H3.
What are the key properties of 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline?
2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline has a molecular weight of 281.44 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline is sourced from PubChem (CID 155616430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).