N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

C17H20F2N2 — CID 142954753

IUPACN'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCN(CCc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N2/c1-20-11-13-21(17-8-6-16(19)7-9-17)12-10-14-2-4-15(18)5-3-14/h2-9,20H,10-13H2,1H3
InChIKeyLSFIERYBBVXHIV-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.23
Rot. Bonds7

About N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 142954753) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
PubChem CID142954753
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCN(CCc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N2/c1-20-11-13-21(17-8-6-16(19)7-9-17)12-10-14-2-4-15(18)5-3-14/h2-9,20H,10-13H2,1H3
InChIKeyLSFIERYBBVXHIV-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
CID 53351243
N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119739080
N,N-dibutyl-4-fluoroaniline
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N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
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N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine
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N,N-diethyl-4-fluoroaniline
CID 592416
3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041162
4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17123265
4-fluoro-N,N-dioctylaniline
CID 91747748
4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde
CID 125499661
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304957
N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
CID 143524177

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (CID 142954753) is N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is CNCCN(CCc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is LSFIERYBBVXHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-20-11-13-21(17-8-6-16(19)7-9-17)12-10-14-2-4-15(18)5-3-14/h2-9,20H,10-13H2,1H3.
What are the key properties of N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 290.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 142954753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).