N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline

C24H27N — CID 164803656

IUPACN,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline
SMILESCc1ccc(C)c(N(c2cc(C)ccc2C)c2c(C)cccc2C)c1
InChIInChI=1S/C24H27N/c1-16-10-12-18(3)22(14-16)25(23-15-17(2)11-13-19(23)4)24-20(5)8-7-9-21(24)6/h7-15H,1-6H3
InChIKeyNWQOCPIEMXLZPV-UHFFFAOYSA-N
MW329.49 g/mol
LogP7.01
Rot. Bonds3

About N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline

N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline (PubChem CID 164803656) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline.

Molecular Properties

Compound NameN,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline
PubChem CID164803656
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC NameN,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline
SMILESCc1ccc(C)c(N(c2cc(C)ccc2C)c2c(C)cccc2C)c1
InChIInChI=1S/C24H27N/c1-16-10-12-18(3)22(14-16)25(23-15-17(2)11-13-19(23)4)24-20(5)8-7-9-21(24)6/h7-15H,1-6H3
InChIKeyNWQOCPIEMXLZPV-UHFFFAOYSA-N
XLogP7.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline?
The IUPAC name of N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline (CID 164803656) is N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline.
What is the SMILES notation for N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline?
The canonical SMILES for N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline is Cc1ccc(C)c(N(c2cc(C)ccc2C)c2c(C)cccc2C)c1.
What is the InChIKey of N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline?
The InChIKey is NWQOCPIEMXLZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-16-10-12-18(3)22(14-16)25(23-15-17(2)11-13-19(23)4)24-20(5)8-7-9-21(24)6/h7-15H,1-6H3.
What are the key properties of N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline?
N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline has a molecular weight of 329.49 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline is sourced from PubChem (CID 164803656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).