[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine

C26H22Cl2N2O2 — CID 69347292

IUPAC[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(Cl)cc3Cl)cc2CN)cc1
InChIInChI=1S/C26H22Cl2N2O2/c1-31-20-8-3-16(4-9-20)25-18(15-29)13-23(22-12-7-19(27)14-24(22)28)26(30-25)17-5-10-21(32-2)11-6-17/h3-14H,15,29H2,1-2H3
InChIKeyCKXLGNZLXCWMLD-UHFFFAOYSA-N
MW465.38 g/mol
LogP6.87
Rot. Bonds6

About [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine

[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine (PubChem CID 69347292) has the molecular formula C26H22Cl2N2O2 and a molecular weight of 465.38 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine
PubChem CID69347292
Molecular FormulaC26H22Cl2N2O2
Molecular Weight465.38 g/mol
Exact Mass464.11
IUPAC Name[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(Cl)cc3Cl)cc2CN)cc1
InChIInChI=1S/C26H22Cl2N2O2/c1-31-20-8-3-16(4-9-20)25-18(15-29)13-23(22-12-7-19(27)14-24(22)28)26(30-25)17-5-10-21(32-2)11-6-17/h3-14H,15,29H2,1-2H3
InChIKeyCKXLGNZLXCWMLD-UHFFFAOYSA-N
XLogP6.87
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 112749101
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
CID 122233245
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725
[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
CID 141399848
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
2-[2-amino-6-(2,4-dichlorophenyl)-4-pyridinyl]-5-methoxyphenol
CID 175922121
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
CID 10149532
N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 87481500
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine (CID 69347292) is [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine is COc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(Cl)cc3Cl)cc2CN)cc1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine?
The InChIKey is CKXLGNZLXCWMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O2/c1-31-20-8-3-16(4-9-20)25-18(15-29)13-23(22-12-7-19(27)14-24(22)28)26(30-25)17-5-10-21(32-2)11-6-17/h3-14H,15,29H2,1-2H3.
What are the key properties of [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine?
[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine has a molecular weight of 465.38 g/mol, XLogP of 6.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 69347292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).