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

C16H18F2N2 — CID 63502191

IUPACN'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H18F2N2/c1-2-20(16-8-6-13(17)7-9-16)11-10-19-15-5-3-4-14(18)12-15/h3-9,12,19H,2,10-11H2,1H3
InChIKeyWZNLGPLBLAYREY-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 63502191) 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 CID63502191
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H18F2N2/c1-2-20(16-8-6-13(17)7-9-16)11-10-19-15-5-3-4-14(18)12-15/h3-9,12,19H,2,10-11H2,1H3
InChIKeyWZNLGPLBLAYREY-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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Related Compounds

N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875
N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754
2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol
CID 60685363
N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554048
N,N-diethyl-4-fluoroaniline
CID 592416
N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561317
N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63504087
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 55089867
N-tert-butyl-N'-ethyl-N'-(3-fluorophenyl)butane-1,4-diamine
CID 62428482
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410

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 63502191) 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(CCNc1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is WZNLGPLBLAYREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-2-20(16-8-6-13(17)7-9-16)11-10-19-15-5-3-4-14(18)12-15/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 63502191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).