2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine

C14H16FN3 — CID 80814736

IUPAC2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cccc(F)c2C)n1
InChIInChI=1S/C14H16FN3/c1-3-16-13-8-5-9-14(18-13)17-12-7-4-6-11(15)10(12)2/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyLRBYDVAHSNTTHI-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.70
Rot. Bonds4

About 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine (PubChem CID 80814736) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
PubChem CID80814736
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cccc(F)c2C)n1
InChIInChI=1S/C14H16FN3/c1-3-16-13-8-5-9-14(18-13)17-12-7-4-6-11(15)10(12)2/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyLRBYDVAHSNTTHI-UHFFFAOYSA-N
XLogP3.70
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103587849
2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
CID 80962039
6-N-(2,3-difluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80798545
2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine
CID 80824451
2-N-ethyl-6-N-(2-propylphenyl)pyridine-2,6-diamine
CID 80807820
2-N-ethyl-6-N-(4-fluoro-2-iodophenyl)pyridine-2,6-diamine
CID 80849440
6-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895
4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80797550
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261
6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 80762738
2-N-(3-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63406117

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine (CID 80814736) is 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine is CCNc1cccc(Nc2cccc(F)c2C)n1.
What is the InChIKey of 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine?
The InChIKey is LRBYDVAHSNTTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-16-13-8-5-9-14(18-13)17-12-7-4-6-11(15)10(12)2/h4-9H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine has a molecular weight of 245.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 80814736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).