5-methyl-2-quinolin-2-ylaniline

C16H14N2 — CID 116644996

IUPAC5-methyl-2-quinolin-2-ylaniline
SMILESCc1ccc(-c2ccc3ccccc3n2)c(N)c1
InChIInChI=1S/C16H14N2/c1-11-6-8-13(14(17)10-11)16-9-7-12-4-2-3-5-15(12)18-16/h2-10H,17H2,1H3
InChIKeyXVEKNIHLOIVKPQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.79
Rot. Bonds1

About 5-methyl-2-quinolin-2-ylaniline

5-methyl-2-quinolin-2-ylaniline (PubChem CID 116644996) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-methyl-2-quinolin-2-ylaniline.

Molecular Properties

Compound Name5-methyl-2-quinolin-2-ylaniline
PubChem CID116644996
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name5-methyl-2-quinolin-2-ylaniline
SMILESCc1ccc(-c2ccc3ccccc3n2)c(N)c1
InChIInChI=1S/C16H14N2/c1-11-6-8-13(14(17)10-11)16-9-7-12-4-2-3-5-15(12)18-16/h2-10H,17H2,1H3
InChIKeyXVEKNIHLOIVKPQ-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.79
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

2-(2,5-dimethylphenyl)quinoline
CID 1202732
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076
(3-methyl-4-quinolin-2-ylphenyl)methanol
CID 170986628
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
4-(4-quinolin-2-ylphenyl)naphthalen-1-amine
CID 89137455
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline
CID 58382612
bis(2-(2,4-difluorophenyl)quinoline);iridium
CID 175385280
(5-methyl-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56711820
4-methyl-2-(quinolin-2-ylmethoxy)aniline
CID 28773260
(2,4-dimethylphenyl)-quinolin-2-ylmethanamine
CID 63222466
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-quinolin-2-ylaniline?
The IUPAC name of 5-methyl-2-quinolin-2-ylaniline (CID 116644996) is 5-methyl-2-quinolin-2-ylaniline.
What is the SMILES notation for 5-methyl-2-quinolin-2-ylaniline?
The canonical SMILES for 5-methyl-2-quinolin-2-ylaniline is Cc1ccc(-c2ccc3ccccc3n2)c(N)c1.
What is the InChIKey of 5-methyl-2-quinolin-2-ylaniline?
The InChIKey is XVEKNIHLOIVKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-6-8-13(14(17)10-11)16-9-7-12-4-2-3-5-15(12)18-16/h2-10H,17H2,1H3.
What are the key properties of 5-methyl-2-quinolin-2-ylaniline?
5-methyl-2-quinolin-2-ylaniline has a molecular weight of 234.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-quinolin-2-ylaniline is sourced from PubChem (CID 116644996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).