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

C16H18F2N2 — CID 107520614

IUPACN'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H18F2N2/c1-2-20(15-5-3-4-14(18)10-15)11-16(19)12-6-8-13(17)9-7-12/h3-10,16H,2,11,19H2,1H3
InChIKeySKJJTUGBDIANGM-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.49
Rot. Bonds5

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

N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine (PubChem CID 107520614) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
PubChem CID107520614
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H18F2N2/c1-2-20(15-5-3-4-14(18)10-15)11-16(19)12-6-8-13(17)9-7-12/h3-10,16H,2,11,19H2,1H3
InChIKeySKJJTUGBDIANGM-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine
CID 57279537
N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287798
1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63493106
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline
CID 66222968
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
1-(N-ethyl-3-fluoroanilino)pentan-2-ol
CID 62044327
1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520745
N'-butyl-1-(3-fluorophenyl)-N'-phenylethane-1,2-diamine
CID 107521487
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
CID 115475172

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine (CID 107520614) is N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine is CCN(CC(N)c1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is SKJJTUGBDIANGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-2-20(15-5-3-4-14(18)10-15)11-16(19)12-6-8-13(17)9-7-12/h3-10,16H,2,11,19H2,1H3.
What are the key properties of N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine?
N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 276.33 g/mol, XLogP of 3.49, 5 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)-1-(4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107520614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).