6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine

C14H17N3O — CID 80647155

IUPAC6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine
SMILESCCOc1cccc(CNc2cccc(N)n2)c1
InChIInChI=1S/C14H17N3O/c1-2-18-12-6-3-5-11(9-12)10-16-14-8-4-7-13(15)17-14/h3-9H,2,10H2,1H3,(H3,15,16,17)
InChIKeyGMDAUFUAYXDWNB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.67
Rot. Bonds5

About 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine

6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine (PubChem CID 80647155) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine
PubChem CID80647155
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine
SMILESCCOc1cccc(CNc2cccc(N)n2)c1
InChIInChI=1S/C14H17N3O/c1-2-18-12-6-3-5-11(9-12)10-16-14-8-4-7-13(15)17-14/h3-9H,2,10H2,1H3,(H3,15,16,17)
InChIKeyGMDAUFUAYXDWNB-UHFFFAOYSA-N
XLogP2.67
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(3-ethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 115612215
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61241131
6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine
CID 106192754
3-[[(6-amino-2-pyridinyl)amino]methyl]benzonitrile
CID 80647387
3-[(3-ethoxyanilino)methyl]aniline
CID 83961381
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 80648081
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine (CID 80647155) is 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine is CCOc1cccc(CNc2cccc(N)n2)c1.
What is the InChIKey of 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine?
The InChIKey is GMDAUFUAYXDWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-12-6-3-5-11(9-12)10-16-14-8-4-7-13(15)17-14/h3-9H,2,10H2,1H3,(H3,15,16,17).
What are the key properties of 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine?
6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80647155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).