6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine

C14H15F2N3O — CID 80753539

IUPAC6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C14H15F2N3O/c1-2-17-12-4-3-5-13(19-12)18-10-6-8-11(9-7-10)20-14(15)16/h3-9,14H,2H2,1H3,(H2,17,18,19)
InChIKeyNTDLZRUNYVYBGB-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.86
Rot. Bonds6

About 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine

6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine (PubChem CID 80753539) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine
PubChem CID80753539
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C14H15F2N3O/c1-2-17-12-4-3-5-13(19-12)18-10-6-8-11(9-7-10)20-14(15)16/h3-9,14H,2H2,1H3,(H2,17,18,19)
InChIKeyNTDLZRUNYVYBGB-UHFFFAOYSA-N
XLogP3.86
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-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

2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine
CID 80759443
2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
CID 80762611
1-[3-(difluoromethoxy)phenyl]-3-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 122324189
5-bromo-4-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80728752
N-ethyl-6-propan-2-yloxypyridin-2-amine
CID 80859521
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 82862442
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine
CID 80768969
2-N-ethyl-6-N-(2-fluoroethyl)pyridine-2,6-diamine
CID 130505047
N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80917076
6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80814732

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine (CID 80753539) is 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine?
The InChIKey is NTDLZRUNYVYBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-2-17-12-4-3-5-13(19-12)18-10-6-8-11(9-7-10)20-14(15)16/h3-9,14H,2H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine?
6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine has a molecular weight of 279.29 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80753539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).