(3-pyridin-3-ylphenyl)methanamine

C12H12N2 — CID 59817954

IUPAC(3-pyridin-3-ylphenyl)methanamine
SMILESNCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C12H12N2/c13-8-10-3-1-4-11(7-10)12-5-2-6-14-9-12/h1-7,9H,8,13H2
InChIKeyLJBZNEQDDZADCX-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.21
Rot. Bonds2

About (3-pyridin-3-ylphenyl)methanamine

(3-pyridin-3-ylphenyl)methanamine (PubChem CID 59817954) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3-pyridin-3-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-pyridin-3-ylphenyl)methanamine
PubChem CID59817954
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name(3-pyridin-3-ylphenyl)methanamine
SMILESNCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C12H12N2/c13-8-10-3-1-4-11(7-10)12-5-2-6-14-9-12/h1-7,9H,8,13H2
InChIKeyLJBZNEQDDZADCX-UHFFFAOYSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylphenyl)methanamine?
The IUPAC name of (3-pyridin-3-ylphenyl)methanamine (CID 59817954) is (3-pyridin-3-ylphenyl)methanamine.
What is the SMILES notation for (3-pyridin-3-ylphenyl)methanamine?
The canonical SMILES for (3-pyridin-3-ylphenyl)methanamine is NCc1cccc(-c2cccnc2)c1.
What is the InChIKey of (3-pyridin-3-ylphenyl)methanamine?
The InChIKey is LJBZNEQDDZADCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c13-8-10-3-1-4-11(7-10)12-5-2-6-14-9-12/h1-7,9H,8,13H2.
What are the key properties of (3-pyridin-3-ylphenyl)methanamine?
(3-pyridin-3-ylphenyl)methanamine has a molecular weight of 184.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylphenyl)methanamine is sourced from PubChem (CID 59817954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).