4-[4-(pyridin-4-ylmethyl)phenyl]aniline

C18H16N2 — CID 46901443

IUPAC4-[4-(pyridin-4-ylmethyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C18H16N2/c19-18-7-5-17(6-8-18)16-3-1-14(2-4-16)13-15-9-11-20-12-10-15/h1-12H,13,19H2
InChIKeyDFRORZVGCQQRJH-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.92
Rot. Bonds3

About 4-[4-(pyridin-4-ylmethyl)phenyl]aniline

4-[4-(pyridin-4-ylmethyl)phenyl]aniline (PubChem CID 46901443) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[4-(pyridin-4-ylmethyl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(pyridin-4-ylmethyl)phenyl]aniline
PubChem CID46901443
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-[4-(pyridin-4-ylmethyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C18H16N2/c19-18-7-5-17(6-8-18)16-3-1-14(2-4-16)13-15-9-11-20-12-10-15/h1-12H,13,19H2
InChIKeyDFRORZVGCQQRJH-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Triprolidine
CID 5282443
Pheniramine
CID 4761
Triprolidine Hydrochloride Anhydrous
CID 5702129
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886
Lanicemine
CID 9794203
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
2,3-Diphenylpyrazine
CID 243907
2-Phenylpyridine
CID 13887

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-4-ylmethyl)phenyl]aniline?
The IUPAC name of 4-[4-(pyridin-4-ylmethyl)phenyl]aniline (CID 46901443) is 4-[4-(pyridin-4-ylmethyl)phenyl]aniline.
What is the SMILES notation for 4-[4-(pyridin-4-ylmethyl)phenyl]aniline?
The canonical SMILES for 4-[4-(pyridin-4-ylmethyl)phenyl]aniline is Nc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[4-(pyridin-4-ylmethyl)phenyl]aniline?
The InChIKey is DFRORZVGCQQRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c19-18-7-5-17(6-8-18)16-3-1-14(2-4-16)13-15-9-11-20-12-10-15/h1-12H,13,19H2.
What are the key properties of 4-[4-(pyridin-4-ylmethyl)phenyl]aniline?
4-[4-(pyridin-4-ylmethyl)phenyl]aniline has a molecular weight of 260.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-4-ylmethyl)phenyl]aniline is sourced from PubChem (CID 46901443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).