3-[(2-methylanilino)methyl]pyridin-4-amine

C13H15N3 — CID 105466959

IUPAC3-[(2-methylanilino)methyl]pyridin-4-amine
SMILESCc1ccccc1NCc1cnccc1N
InChIInChI=1S/C13H15N3/c1-10-4-2-3-5-13(10)16-9-11-8-15-7-6-12(11)14/h2-8,16H,9H2,1H3,(H2,14,15)
InChIKeyCOLUWTUYPXWDTK-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.58
Rot. Bonds3

About 3-[(2-methylanilino)methyl]pyridin-4-amine

3-[(2-methylanilino)methyl]pyridin-4-amine (PubChem CID 105466959) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(2-methylanilino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(2-methylanilino)methyl]pyridin-4-amine
PubChem CID105466959
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-[(2-methylanilino)methyl]pyridin-4-amine
SMILESCc1ccccc1NCc1cnccc1N
InChIInChI=1S/C13H15N3/c1-10-4-2-3-5-13(10)16-9-11-8-15-7-6-12(11)14/h2-8,16H,9H2,1H3,(H2,14,15)
InChIKeyCOLUWTUYPXWDTK-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Aminopyridine
CID 1727
Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Betahistine
CID 2366
5-Ethyl-2-methylpyridine
CID 7728
4-Phenylpyridine
CID 13651
3-Pyridinemethanamine
CID 31018
Rivanicline
CID 5310967
2-(3-Phenylpropyl)Pyridine
CID 459494

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylanilino)methyl]pyridin-4-amine?
The IUPAC name of 3-[(2-methylanilino)methyl]pyridin-4-amine (CID 105466959) is 3-[(2-methylanilino)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(2-methylanilino)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(2-methylanilino)methyl]pyridin-4-amine is Cc1ccccc1NCc1cnccc1N.
What is the InChIKey of 3-[(2-methylanilino)methyl]pyridin-4-amine?
The InChIKey is COLUWTUYPXWDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-4-2-3-5-13(10)16-9-11-8-15-7-6-12(11)14/h2-8,16H,9H2,1H3,(H2,14,15).
What are the key properties of 3-[(2-methylanilino)methyl]pyridin-4-amine?
3-[(2-methylanilino)methyl]pyridin-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylanilino)methyl]pyridin-4-amine is sourced from PubChem (CID 105466959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).