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

C16H19FN2 — CID 54806556

IUPACN'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C16H19FN2/c1-19(13-14-7-3-2-4-8-14)12-11-18-16-10-6-5-9-15(16)17/h2-10,18H,11-13H2,1H3
InChIKeyIDIYANNUVYWYSW-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.37
Rot. Bonds6

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

N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 54806556) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID54806556
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C16H19FN2/c1-19(13-14-7-3-2-4-8-14)12-11-18-16-10-6-5-9-15(16)17/h2-10,18H,11-13H2,1H3
InChIKeyIDIYANNUVYWYSW-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 62575062
N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556464
N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806685
N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55089108
N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554058
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
CID 62376760
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62558241

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine (CID 54806556) is N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine is CN(CCNc1ccccc1F)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is IDIYANNUVYWYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-19(13-14-7-3-2-4-8-14)12-11-18-16-10-6-5-9-15(16)17/h2-10,18H,11-13H2,1H3.
What are the key properties of N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 54806556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).