N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline

C28H28N2O — CID 70645342

IUPACN-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline
SMILESCOc1ccccc1C(Nc1c(C)cc(C)cc1C)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C28H28N2O/c1-19-17-20(2)27(21(3)18-19)30-28(23-13-8-9-16-26(23)31-4)25-15-10-14-24(29-25)22-11-6-5-7-12-22/h5-18,28,30H,1-4H3
InChIKeyDZCYKWAYXRFARG-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.88
Rot. Bonds6

About N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline

N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline (PubChem CID 70645342) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline
PubChem CID70645342
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC NameN-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline
SMILESCOc1ccccc1C(Nc1c(C)cc(C)cc1C)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C28H28N2O/c1-19-17-20(2)27(21(3)18-19)30-28(23-13-8-9-16-26(23)31-4)25-15-10-14-24(29-25)22-11-6-5-7-12-22/h5-18,28,30H,1-4H3
InChIKeyDZCYKWAYXRFARG-UHFFFAOYSA-N
XLogP6.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline (CID 70645342) is N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline is COc1ccccc1C(Nc1c(C)cc(C)cc1C)c1cccc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline?
The InChIKey is DZCYKWAYXRFARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-19-17-20(2)27(21(3)18-19)30-28(23-13-8-9-16-26(23)31-4)25-15-10-14-24(29-25)22-11-6-5-7-12-22/h5-18,28,30H,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline?
N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline has a molecular weight of 408.55 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 70645342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).