N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine

C16H18F2N2 — CID 63502026

IUPACN'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H18F2N2/c1-2-20(16-5-3-4-14(18)12-16)11-10-19-15-8-6-13(17)7-9-15/h3-9,12,19H,2,10-11H2,1H3
InChIKeyZKNPQRGZWKRWLZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.90
Rot. Bonds6

About N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine

N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine (PubChem CID 63502026) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
PubChem CID63502026
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H18F2N2/c1-2-20(16-5-3-4-14(18)12-16)11-10-19-15-8-6-13(17)7-9-15/h3-9,12,19H,2,10-11H2,1H3
InChIKeyZKNPQRGZWKRWLZ-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine (CID 63502026) is N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine is CCN(CCNc1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is ZKNPQRGZWKRWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-2-20(16-5-3-4-14(18)12-16)11-10-19-15-8-6-13(17)7-9-15/h3-9,12,19H,2,10-11H2,1H3.
What are the key properties of N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 276.33 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 63502026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).