6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine

C16H21N3O — CID 80763066

IUPAC6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2ccccc2OCC)n1
InChIInChI=1S/C16H21N3O/c1-3-12-17-15-10-7-11-16(19-15)18-13-8-5-6-9-14(13)20-4-2/h5-11H,3-4,12H2,1-2H3,(H2,17,18,19)
InChIKeyKZFDKYCVUQWURZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.05
Rot. Bonds7

About 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine

6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 80763066) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID80763066
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2ccccc2OCC)n1
InChIInChI=1S/C16H21N3O/c1-3-12-17-15-10-7-11-16(19-15)18-13-8-5-6-9-14(13)20-4-2/h5-11H,3-4,12H2,1-2H3,(H2,17,18,19)
InChIKeyKZFDKYCVUQWURZ-UHFFFAOYSA-N
XLogP4.05
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064
5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938622
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
6-N-(2,3-difluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80798545
6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 80762738
2-N-(2-ethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261354
6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 107531766
4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939464
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881861
4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875858

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine (CID 80763066) is 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(Nc2ccccc2OCC)n1.
What is the InChIKey of 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is KZFDKYCVUQWURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12-17-15-10-7-11-16(19-15)18-13-8-5-6-9-14(13)20-4-2/h5-11H,3-4,12H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine?
6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 271.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80763066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).