N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline

C20H27N — CID 11161837

IUPACN-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H27N/c1-13(2)17-11-8-12-18(14(3)4)20(17)21-19-15(5)9-7-10-16(19)6/h7-14,21H,1-6H3
InChIKeyGHTILTIFYAIUHV-UHFFFAOYSA-N
MW281.44 g/mol
LogP6.29
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline

N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline (PubChem CID 11161837) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline
PubChem CID11161837
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H27N/c1-13(2)17-11-8-12-18(14(3)4)20(17)21-19-15(5)9-7-10-16(19)6/h7-14,21H,1-6H3
InChIKeyGHTILTIFYAIUHV-UHFFFAOYSA-N
XLogP6.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline (CID 11161837) is N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline is Cc1cccc(C)c1Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline?
The InChIKey is GHTILTIFYAIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-13(2)17-11-8-12-18(14(3)4)20(17)21-19-15(5)9-7-10-16(19)6/h7-14,21H,1-6H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline?
N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline has a molecular weight of 281.44 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethylaniline is sourced from PubChem (CID 11161837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).