(4-methyl-2-pyridinyl)-phenylmethanamine

C13H14N2 — CID 571849

IUPAC(4-methyl-2-pyridinyl)-phenylmethanamine
SMILESCc1ccnc(C(N)c2ccccc2)c1
InChIInChI=1S/C13H14N2/c1-10-7-8-15-12(9-10)13(14)11-5-3-2-4-6-11/h2-9,13H,14H2,1H3
InChIKeyDCCWCRRRIKODRF-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.44
Rot. Bonds2

About (4-methyl-2-pyridinyl)-phenylmethanamine

(4-methyl-2-pyridinyl)-phenylmethanamine (PubChem CID 571849) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)-phenylmethanamine.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)-phenylmethanamine
PubChem CID571849
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name(4-methyl-2-pyridinyl)-phenylmethanamine
SMILESCc1ccnc(C(N)c2ccccc2)c1
InChIInChI=1S/C13H14N2/c1-10-7-8-15-12(9-10)13(14)11-5-3-2-4-6-11/h2-9,13H,14H2,1H3
InChIKeyDCCWCRRRIKODRF-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)-phenylmethanamine?
The IUPAC name of (4-methyl-2-pyridinyl)-phenylmethanamine (CID 571849) is (4-methyl-2-pyridinyl)-phenylmethanamine.
What is the SMILES notation for (4-methyl-2-pyridinyl)-phenylmethanamine?
The canonical SMILES for (4-methyl-2-pyridinyl)-phenylmethanamine is Cc1ccnc(C(N)c2ccccc2)c1.
What is the InChIKey of (4-methyl-2-pyridinyl)-phenylmethanamine?
The InChIKey is DCCWCRRRIKODRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-7-8-15-12(9-10)13(14)11-5-3-2-4-6-11/h2-9,13H,14H2,1H3.
What are the key properties of (4-methyl-2-pyridinyl)-phenylmethanamine?
(4-methyl-2-pyridinyl)-phenylmethanamine has a molecular weight of 198.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)-phenylmethanamine is sourced from PubChem (CID 571849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).