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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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).