4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine

C22H25N3 — CID 175630107

IUPAC4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(C)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C22H25N3/c1-4-25(5-2)21-15-13-20(14-16-21)24(3)19-11-9-18(10-12-19)22-8-6-7-17-23-22/h6-17H,4-5H2,1-3H3
InChIKeyNNUUOQOKTJUDFJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.36
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine (PubChem CID 175630107) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine
PubChem CID175630107
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(C)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C22H25N3/c1-4-25(5-2)21-15-13-20(14-16-21)24(3)19-11-9-18(10-12-19)22-8-6-7-17-23-22/h6-17H,4-5H2,1-3H3
InChIKeyNNUUOQOKTJUDFJ-UHFFFAOYSA-N
XLogP5.36
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)pyridine;silver
CID 121395993
ethane;2-(4-propylphenyl)pyridine
CID 158701503
N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
CID 118122927
4-benzo[f]quinolin-3-yl-N,N-diethylaniline
CID 5063761
propane;2-pyridin-2-ylpyridine
CID 158168510
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate
CID 71715003
1-N,1-N,3-N,3-N-tetramethyl-5-pyridin-2-ylbenzene-1,3-diamine
CID 102138084
2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one
CID 146381202
2-[4-(1-deuteriopropyl)phenyl]pyridine
CID 163281838
N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 101481951

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine (CID 175630107) is 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine is CCN(CC)c1ccc(N(C)c2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine?
The InChIKey is NNUUOQOKTJUDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-4-25(5-2)21-15-13-20(14-16-21)24(3)19-11-9-18(10-12-19)22-8-6-7-17-23-22/h6-17H,4-5H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine has a molecular weight of 331.46 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 175630107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).