N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline

C28H28N2 — CID 20829022

IUPACN-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(N(C)C(c2ccccc2)c2cccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H28N2/c1-21(2)22-17-19-25(20-18-22)30(3)28(24-13-8-5-9-14-24)27-16-10-15-26(29-27)23-11-6-4-7-12-23/h4-21,28H,1-3H3
InChIKeyZUVCEXLDGODNFT-UHFFFAOYSA-N
MW392.55 g/mol
LogP7.10
Rot. Bonds6

About N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline

N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline (PubChem CID 20829022) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline
PubChem CID20829022
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC NameN-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(N(C)C(c2ccccc2)c2cccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H28N2/c1-21(2)22-17-19-25(20-18-22)30(3)28(24-13-8-5-9-14-24)27-16-10-15-26(29-27)23-11-6-4-7-12-23/h4-21,28H,1-3H3
InChIKeyZUVCEXLDGODNFT-UHFFFAOYSA-N
XLogP7.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline?
The IUPAC name of N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline (CID 20829022) is N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline is CC(C)c1ccc(N(C)C(c2ccccc2)c2cccc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline?
The InChIKey is ZUVCEXLDGODNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-21(2)22-17-19-25(20-18-22)30(3)28(24-13-8-5-9-14-24)27-16-10-15-26(29-27)23-11-6-4-7-12-23/h4-21,28H,1-3H3.
What are the key properties of N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline?
N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline has a molecular weight of 392.55 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline is sourced from PubChem (CID 20829022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).