4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline

C15H18N2 — CID 778446

IUPAC4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline
SMILESCc1ccc(NCCc2ccc(C)nc2)cc1
InChIInChI=1S/C15H18N2/c1-12-3-7-15(8-4-12)16-10-9-14-6-5-13(2)17-11-14/h3-8,11,16H,9-10H2,1-2H3
InChIKeyAMVUDUKMQSYBIQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.35
Rot. Bonds4

About 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline

4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline (PubChem CID 778446) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline
PubChem CID778446
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline
SMILESCc1ccc(NCCc2ccc(C)nc2)cc1
InChIInChI=1S/C15H18N2/c1-12-3-7-15(8-4-12)16-10-9-14-6-5-13(2)17-11-14/h3-8,11,16H,9-10H2,1-2H3
InChIKeyAMVUDUKMQSYBIQ-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline (CID 778446) is 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline is Cc1ccc(NCCc2ccc(C)nc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline?
The InChIKey is AMVUDUKMQSYBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-3-7-15(8-4-12)16-10-9-14-6-5-13(2)17-11-14/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline?
4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline has a molecular weight of 226.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]aniline is sourced from PubChem (CID 778446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).