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

C13H15N3 — CID 105466992

IUPAC2-[(4-methylanilino)methyl]pyridin-4-amine
SMILESCc1ccc(NCc2cc(N)ccn2)cc1
InChIInChI=1S/C13H15N3/c1-10-2-4-12(5-3-10)16-9-13-8-11(14)6-7-15-13/h2-8,16H,9H2,1H3,(H2,14,15)
InChIKeyIQBBOBDPVKKWET-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.58
Rot. Bonds3

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

2-[(4-methylanilino)methyl]pyridin-4-amine (PubChem CID 105466992) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(4-methylanilino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(4-methylanilino)methyl]pyridin-4-amine
PubChem CID105466992
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-[(4-methylanilino)methyl]pyridin-4-amine
SMILESCc1ccc(NCc2cc(N)ccn2)cc1
InChIInChI=1S/C13H15N3/c1-10-2-4-12(5-3-10)16-9-13-8-11(14)6-7-15-13/h2-8,16H,9H2,1H3,(H2,14,15)
InChIKeyIQBBOBDPVKKWET-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

2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine
CID 79259807
2-ethylpyridin-4-amine
CID 12015366
2-[(2-chloroanilino)methyl]pyridin-4-amine
CID 105493854
1-[(4-amino-2-pyridinyl)methyl]-3-methylurea
CID 154843666
2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
CID 79250809
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine
CID 79259714
2-[(2-methylpropan-2-yl)oxymethyl]pyridin-4-amine
CID 79251673
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 166363517
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856
N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine
CID 81312291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylanilino)methyl]pyridin-4-amine?
The IUPAC name of 2-[(4-methylanilino)methyl]pyridin-4-amine (CID 105466992) is 2-[(4-methylanilino)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(4-methylanilino)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(4-methylanilino)methyl]pyridin-4-amine is Cc1ccc(NCc2cc(N)ccn2)cc1.
What is the InChIKey of 2-[(4-methylanilino)methyl]pyridin-4-amine?
The InChIKey is IQBBOBDPVKKWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-2-4-12(5-3-10)16-9-13-8-11(14)6-7-15-13/h2-8,16H,9H2,1H3,(H2,14,15).
What are the key properties of 2-[(4-methylanilino)methyl]pyridin-4-amine?
2-[(4-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 2-[(4-methylanilino)methyl]pyridin-4-amine is sourced from PubChem (CID 105466992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).