4-[2-(5-methyl-2-pyridinyl)ethyl]aniline

C14H16N2 — CID 10013428

IUPAC4-[2-(5-methyl-2-pyridinyl)ethyl]aniline
SMILESCc1ccc(CCc2ccc(N)cc2)nc1
InChIInChI=1S/C14H16N2/c1-11-2-8-14(16-10-11)9-5-12-3-6-13(15)7-4-12/h2-4,6-8,10H,5,9,15H2,1H3
InChIKeyZVIHNAQKAGGHPZ-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.76
Rot. Bonds3

About 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline

4-[2-(5-methyl-2-pyridinyl)ethyl]aniline (PubChem CID 10013428) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(5-methyl-2-pyridinyl)ethyl]aniline
PubChem CID10013428
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-[2-(5-methyl-2-pyridinyl)ethyl]aniline
SMILESCc1ccc(CCc2ccc(N)cc2)nc1
InChIInChI=1S/C14H16N2/c1-11-2-8-14(16-10-11)9-5-12-3-6-13(15)7-4-12/h2-4,6-8,10H,5,9,15H2,1H3
InChIKeyZVIHNAQKAGGHPZ-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline?
The IUPAC name of 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline (CID 10013428) is 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline.
What is the SMILES notation for 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline?
The canonical SMILES for 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline is Cc1ccc(CCc2ccc(N)cc2)nc1.
What is the InChIKey of 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline?
The InChIKey is ZVIHNAQKAGGHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-2-8-14(16-10-11)9-5-12-3-6-13(15)7-4-12/h2-4,6-8,10H,5,9,15H2,1H3.
What are the key properties of 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline?
4-[2-(5-methyl-2-pyridinyl)ethyl]aniline has a molecular weight of 212.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-2-pyridinyl)ethyl]aniline is sourced from PubChem (CID 10013428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).