2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine

C15H19N3 — CID 106899259

IUPAC2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
SMILESCCc1ccc(CNc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C15H19N3/c1-3-12-4-6-13(7-5-12)9-17-15-8-11(2)14(16)10-18-15/h4-8,10H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyWKUPXHBMWNAVPL-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.15
Rot. Bonds4

About 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine

2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine (PubChem CID 106899259) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
PubChem CID106899259
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
SMILESCCc1ccc(CNc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C15H19N3/c1-3-12-4-6-13(7-5-12)9-17-15-8-11(2)14(16)10-18-15/h4-8,10H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyWKUPXHBMWNAVPL-UHFFFAOYSA-N
XLogP3.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine
CID 79175645
4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
CID 113231864
[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231544
4-methyl-2-N-(1,2-oxazol-5-ylmethyl)pyridine-2,5-diamine
CID 106414445
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930
4-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 79175761
4-methyl-2-N-(quinolin-8-ylmethyl)pyridine-2,5-diamine
CID 81426632
4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 79176053
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
N-benzyl-5-ethylpyridin-2-amine
CID 53404811
4-methyl-2-N-pentan-3-ylpyridine-2,5-diamine
CID 79173415

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine (CID 106899259) is 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine is CCc1ccc(CNc2cc(C)c(N)cn2)cc1.
What is the InChIKey of 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine?
The InChIKey is WKUPXHBMWNAVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-12-4-6-13(7-5-12)9-17-15-8-11(2)14(16)10-18-15/h4-8,10H,3,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine?
2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 106899259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).