2-methyl-5-(pyridin-3-ylmethyl)aniline

C13H14N2 — CID 104736835

IUPAC2-methyl-5-(pyridin-3-ylmethyl)aniline
SMILESCc1ccc(Cc2cccnc2)cc1N
InChIInChI=1S/C13H14N2/c1-10-4-5-11(8-13(10)14)7-12-3-2-6-15-9-12/h2-6,8-9H,7,14H2,1H3
InChIKeyXWNZTWHZWKYDBI-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.56
Rot. Bonds2

About 2-methyl-5-(pyridin-3-ylmethyl)aniline

2-methyl-5-(pyridin-3-ylmethyl)aniline (PubChem CID 104736835) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-5-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-methyl-5-(pyridin-3-ylmethyl)aniline
PubChem CID104736835
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2-methyl-5-(pyridin-3-ylmethyl)aniline
SMILESCc1ccc(Cc2cccnc2)cc1N
InChIInChI=1S/C13H14N2/c1-10-4-5-11(8-13(10)14)7-12-3-2-6-15-9-12/h2-6,8-9H,7,14H2,1H3
InChIKeyXWNZTWHZWKYDBI-UHFFFAOYSA-N
XLogP2.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.56
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

4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-methyl-5-(pyridin-3-ylmethyl)aniline
CID 107579669
methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate
CID 19381132
5-(pyridin-3-ylmethyl)-1H-indazol-3-amine
CID 68672103
[3-(pyridin-3-ylmethyl)phenyl]hydrazine
CID 14987069
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563094
ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate
CID 13365786
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-methyl-5-(pyridin-3-ylmethyl)aniline (CID 104736835) is 2-methyl-5-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-methyl-5-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-methyl-5-(pyridin-3-ylmethyl)aniline is Cc1ccc(Cc2cccnc2)cc1N.
What is the InChIKey of 2-methyl-5-(pyridin-3-ylmethyl)aniline?
The InChIKey is XWNZTWHZWKYDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-4-5-11(8-13(10)14)7-12-3-2-6-15-9-12/h2-6,8-9H,7,14H2,1H3.
What are the key properties of 2-methyl-5-(pyridin-3-ylmethyl)aniline?
2-methyl-5-(pyridin-3-ylmethyl)aniline has a molecular weight of 198.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 104736835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).