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

C13H14N2 — CID 107579669

IUPAC3-methyl-5-(pyridin-3-ylmethyl)aniline
SMILESCc1cc(N)cc(Cc2cccnc2)c1
InChIInChI=1S/C13H14N2/c1-10-5-12(8-13(14)6-10)7-11-3-2-4-15-9-11/h2-6,8-9H,7,14H2,1H3
InChIKeyOZMZGUNBQHHGTQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.56
Rot. Bonds2

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

3-methyl-5-(pyridin-3-ylmethyl)aniline (PubChem CID 107579669) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-methyl-5-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-methyl-5-(pyridin-3-ylmethyl)aniline
PubChem CID107579669
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-methyl-5-(pyridin-3-ylmethyl)aniline
SMILESCc1cc(N)cc(Cc2cccnc2)c1
InChIInChI=1S/C13H14N2/c1-10-5-12(8-13(14)6-10)7-11-3-2-4-15-9-11/h2-6,8-9H,7,14H2,1H3
InChIKeyOZMZGUNBQHHGTQ-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

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62552074
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794
5-(pyridin-3-ylmethyl)thiophen-3-amine
CID 82375068
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
5-(pyridin-3-ylmethyl)thiophen-2-amine
CID 131279369
methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate
CID 19381132
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-methyl-5-(pyridin-3-ylmethyl)aniline (CID 107579669) is 3-methyl-5-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-methyl-5-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-methyl-5-(pyridin-3-ylmethyl)aniline is Cc1cc(N)cc(Cc2cccnc2)c1.
What is the InChIKey of 3-methyl-5-(pyridin-3-ylmethyl)aniline?
The InChIKey is OZMZGUNBQHHGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-5-12(8-13(14)6-10)7-11-3-2-4-15-9-11/h2-6,8-9H,7,14H2,1H3.
What are the key properties of 3-methyl-5-(pyridin-3-ylmethyl)aniline?
3-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 3-methyl-5-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 107579669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).