2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine

C13H20F2N2O2 — CID 54985046

IUPAC2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
SMILESCOCCCN(CCOC)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H20F2N2O2/c1-18-6-3-4-17(5-7-19-2)13-11(14)8-10(16)9-12(13)15/h8-9H,3-7,16H2,1-2H3
InChIKeyCILGPVUVOLRAMC-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.04
Rot. Bonds8

About 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine

2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine (PubChem CID 54985046) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
PubChem CID54985046
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC Name2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
SMILESCOCCCN(CCOC)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H20F2N2O2/c1-18-6-3-4-17(5-7-19-2)13-11(14)8-10(16)9-12(13)15/h8-9H,3-7,16H2,1-2H3
InChIKeyCILGPVUVOLRAMC-UHFFFAOYSA-N
XLogP2.04
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine (CID 54985046) is 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine is COCCCN(CCOC)c1c(F)cc(N)cc1F.
What is the InChIKey of 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
The InChIKey is CILGPVUVOLRAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-18-6-3-4-17(5-7-19-2)13-11(14)8-10(16)9-12(13)15/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine has a molecular weight of 274.31 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine is sourced from PubChem (CID 54985046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).