5-methyl-4-phenyl-2-pyridin-3-ylaniline

C18H16N2 — CID 174549338

IUPAC5-methyl-4-phenyl-2-pyridin-3-ylaniline
SMILESCc1cc(N)c(-c2cccnc2)cc1-c1ccccc1
InChIInChI=1S/C18H16N2/c1-13-10-18(19)17(15-8-5-9-20-12-15)11-16(13)14-6-3-2-4-7-14/h2-12H,19H2,1H3
InChIKeyFYHKLUKJHJIKCM-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.31
Rot. Bonds2

About 5-methyl-4-phenyl-2-pyridin-3-ylaniline

5-methyl-4-phenyl-2-pyridin-3-ylaniline (PubChem CID 174549338) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-pyridin-3-ylaniline.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-pyridin-3-ylaniline
PubChem CID174549338
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name5-methyl-4-phenyl-2-pyridin-3-ylaniline
SMILESCc1cc(N)c(-c2cccnc2)cc1-c1ccccc1
InChIInChI=1S/C18H16N2/c1-13-10-18(19)17(15-8-5-9-20-12-15)11-16(13)14-6-3-2-4-7-14/h2-12H,19H2,1H3
InChIKeyFYHKLUKJHJIKCM-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.31
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

3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
3-(2-methylphenyl)pyridine
CID 4133191
2,4-dipyridin-3-ylaniline
CID 46316358
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
4-methoxy-2-pyridin-3-ylaniline
CID 71445761
3-methyl-2-pyridin-3-ylaniline
CID 22482419
3-[3,6,8-tris(4-methylphenyl)pyren-1-yl]pyridine
CID 58924986
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine
CID 59609405

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-pyridin-3-ylaniline?
The IUPAC name of 5-methyl-4-phenyl-2-pyridin-3-ylaniline (CID 174549338) is 5-methyl-4-phenyl-2-pyridin-3-ylaniline.
What is the SMILES notation for 5-methyl-4-phenyl-2-pyridin-3-ylaniline?
The canonical SMILES for 5-methyl-4-phenyl-2-pyridin-3-ylaniline is Cc1cc(N)c(-c2cccnc2)cc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-pyridin-3-ylaniline?
The InChIKey is FYHKLUKJHJIKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-13-10-18(19)17(15-8-5-9-20-12-15)11-16(13)14-6-3-2-4-7-14/h2-12H,19H2,1H3.
What are the key properties of 5-methyl-4-phenyl-2-pyridin-3-ylaniline?
5-methyl-4-phenyl-2-pyridin-3-ylaniline has a molecular weight of 260.34 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-pyridin-3-ylaniline is sourced from PubChem (CID 174549338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).