2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline

C21H20N2 — CID 101168271

IUPAC2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline
SMILESCc1cccc(C)c1Nc1ccc(/C=C/c2cccnc2)cc1
InChIInChI=1S/C21H20N2/c1-16-5-3-6-17(2)21(16)23-20-12-10-18(11-13-20)8-9-19-7-4-14-22-15-19/h3-15,23H,1-2H3/b9-8+
InChIKeyHOHSOPBABODVIY-CMDGGOBGSA-N
MW300.40 g/mol
LogP5.61
Rot. Bonds4

About 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline

2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline (PubChem CID 101168271) has the molecular formula C21H20N2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline
PubChem CID101168271
Molecular FormulaC21H20N2
Molecular Weight300.40 g/mol
Exact Mass300.16
IUPAC Name2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline
SMILESCc1cccc(C)c1Nc1ccc(/C=C/c2cccnc2)cc1
InChIInChI=1S/C21H20N2/c1-16-5-3-6-17(2)21(16)23-20-12-10-18(11-13-20)8-9-19-7-4-14-22-15-19/h3-15,23H,1-2H3/b9-8+
InChIKeyHOHSOPBABODVIY-CMDGGOBGSA-N
XLogP5.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 146212994
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-[4-(2-methylpropyl)triazol-1-yl]-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline
CID 150793172
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
trimethyl-[[4-[(Z)-2-pyridin-3-ylethenyl]phenyl]methyl]silane
CID 101414721
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
CID 142599009
3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine
CID 141207818

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline?
The IUPAC name of 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline (CID 101168271) is 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline is Cc1cccc(C)c1Nc1ccc(/C=C/c2cccnc2)cc1.
What is the InChIKey of 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline?
The InChIKey is HOHSOPBABODVIY-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H20N2/c1-16-5-3-6-17(2)21(16)23-20-12-10-18(11-13-20)8-9-19-7-4-14-22-15-19/h3-15,23H,1-2H3/b9-8+.
What are the key properties of 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline?
2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline has a molecular weight of 300.40 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline is sourced from PubChem (CID 101168271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).