N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine

C15H16F2N2 — CID 55089108

IUPACN-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C15H16F2N2/c1-19(13-6-4-5-12(16)11-13)10-9-18-15-8-3-2-7-14(15)17/h2-8,11,18H,9-10H2,1H3
InChIKeyNOXYZMRPEIMISW-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.51
Rot. Bonds5

About N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine

N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 55089108) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID55089108
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C15H16F2N2/c1-19(13-6-4-5-12(16)11-13)10-9-18-15-8-3-2-7-14(15)17/h2-8,11,18H,9-10H2,1H3
InChIKeyNOXYZMRPEIMISW-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62556023
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
3-(3-fluoro-N-methylanilino)propanal
CID 63041284
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
N'-[(4-bromophenyl)methyl]-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63502076
N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62559494
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine (CID 55089108) is N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine is CN(CCNc1ccccc1F)c1cccc(F)c1.
What is the InChIKey of N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is NOXYZMRPEIMISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-19(13-6-4-5-12(16)11-13)10-9-18-15-8-3-2-7-14(15)17/h2-8,11,18H,9-10H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 262.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55089108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).