N-(pyridin-3-ylmethyl)aniline

C12H12N2 — CID 1082702

IUPACN-(pyridin-3-ylmethyl)aniline
SMILESc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
InChIKeyBJXLHKJBRORJJJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.69
Rot. Bonds3

About N-(pyridin-3-ylmethyl)aniline

N-(pyridin-3-ylmethyl)aniline (PubChem CID 1082702) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)aniline
PubChem CID1082702
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC NameN-(pyridin-3-ylmethyl)aniline
SMILESc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
InChIKeyBJXLHKJBRORJJJ-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of N-(pyridin-3-ylmethyl)aniline (CID 1082702) is N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for N-(pyridin-3-ylmethyl)aniline is c1ccc(NCc2cccnc2)cc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)aniline?
The InChIKey is BJXLHKJBRORJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2.
What are the key properties of N-(pyridin-3-ylmethyl)aniline?
N-(pyridin-3-ylmethyl)aniline has a molecular weight of 184.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 1082702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).