6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine

C14H15F2N3 — CID 80805276

IUPAC6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H15F2N3/c1-2-17-13-4-3-5-14(19-13)18-9-10-6-7-11(15)12(16)8-10/h3-8H,2,9H2,1H3,(H2,17,18,19)
InChIKeyAOSHTYOCBKQMDB-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.40
Rot. Bonds5

About 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine

6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine (PubChem CID 80805276) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
PubChem CID80805276
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H15F2N3/c1-2-17-13-4-3-5-14(19-13)18-9-10-6-7-11(15)12(16)8-10/h3-8H,2,9H2,1H3,(H2,17,18,19)
InChIKeyAOSHTYOCBKQMDB-UHFFFAOYSA-N
XLogP3.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine (CID 80805276) is 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
The InChIKey is AOSHTYOCBKQMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-2-17-13-4-3-5-14(19-13)18-9-10-6-7-11(15)12(16)8-10/h3-8H,2,9H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine has a molecular weight of 263.29 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80805276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).