4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline

C33H38N2O2 — CID 15375140

IUPAC4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline
SMILESCCCCOc1ccccc1-c1cc(-c2ccc(N(C)C)cc2)cc(-c2ccccc2OCCCC)n1
InChIInChI=1S/C33H38N2O2/c1-5-7-21-36-32-15-11-9-13-28(32)30-23-26(25-17-19-27(20-18-25)35(3)4)24-31(34-30)29-14-10-12-16-33(29)37-22-8-6-2/h9-20,23-24H,5-8,21-22H2,1-4H3
InChIKeyILYAEOXWJYZALF-UHFFFAOYSA-N
MW494.68 g/mol
LogP8.51
Rot. Bonds12

About 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline

4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline (PubChem CID 15375140) has the molecular formula C33H38N2O2 and a molecular weight of 494.68 g/mol. Its IUPAC name is 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline
PubChem CID15375140
Molecular FormulaC33H38N2O2
Molecular Weight494.68 g/mol
Exact Mass494.29
IUPAC Name4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline
SMILESCCCCOc1ccccc1-c1cc(-c2ccc(N(C)C)cc2)cc(-c2ccccc2OCCCC)n1
InChIInChI=1S/C33H38N2O2/c1-5-7-21-36-32-15-11-9-13-28(32)30-23-26(25-17-19-27(20-18-25)35(3)4)24-31(34-30)29-14-10-12-16-33(29)37-22-8-6-2/h9-20,23-24H,5-8,21-22H2,1-4H3
InChIKeyILYAEOXWJYZALF-UHFFFAOYSA-N
XLogP8.51
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[3-(2-octoxyphenyl)phenyl]aniline
CID 174500823
4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline
CID 139830449
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dihexadecoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 177491486
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
4-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-N,N-dimethylaniline
CID 14093519
[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452931
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde
CID 82452921
4-(2-butoxyphenyl)pyridazine
CID 173145819
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
CID 139195352

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline (CID 15375140) is 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline is CCCCOc1ccccc1-c1cc(-c2ccc(N(C)C)cc2)cc(-c2ccccc2OCCCC)n1.
What is the InChIKey of 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline?
The InChIKey is ILYAEOXWJYZALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O2/c1-5-7-21-36-32-15-11-9-13-28(32)30-23-26(25-17-19-27(20-18-25)35(3)4)24-31(34-30)29-14-10-12-16-33(29)37-22-8-6-2/h9-20,23-24H,5-8,21-22H2,1-4H3.
What are the key properties of 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline?
4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline has a molecular weight of 494.68 g/mol, XLogP of 8.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline is sourced from PubChem (CID 15375140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).