2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine

C14H17N3O — CID 79020765

IUPAC2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
SMILESCCOc1ccc(Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-3-18-12-6-4-11(5-7-12)17-14-8-10(2)13(15)9-16-14/h4-9H,3,15H2,1-2H3,(H,16,17)
InChIKeyCANDVRGUZMVTRH-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.11
Rot. Bonds4

About 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine

2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine (PubChem CID 79020765) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
PubChem CID79020765
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
SMILESCCOc1ccc(Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-3-18-12-6-4-11(5-7-12)17-14-8-10(2)13(15)9-16-14/h4-9H,3,15H2,1-2H3,(H,16,17)
InChIKeyCANDVRGUZMVTRH-UHFFFAOYSA-N
XLogP3.11
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 79172818
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine (CID 79020765) is 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine is CCOc1ccc(Nc2cc(C)c(N)cn2)cc1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is CANDVRGUZMVTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-18-12-6-4-11(5-7-12)17-14-8-10(2)13(15)9-16-14/h4-9H,3,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine?
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 243.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79020765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).