N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

C15H18FN3 — CID 62559494

IUPACN-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNc1ccccc1F)Cc1ccncc1
InChIInChI=1S/C15H18FN3/c1-19(12-13-6-8-17-9-7-13)11-10-18-15-5-3-2-4-14(15)16/h2-9,18H,10-12H2,1H3
InChIKeyAOESREQMISGCDV-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.76
Rot. Bonds6

About N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 62559494) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID62559494
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNc1ccccc1F)Cc1ccncc1
InChIInChI=1S/C15H18FN3/c1-19(12-13-6-8-17-9-7-13)11-10-18-15-5-3-2-4-14(15)16/h2-9,18H,10-12H2,1H3
InChIKeyAOESREQMISGCDV-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 62559494) is N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CN(CCNc1ccccc1F)Cc1ccncc1.
What is the InChIKey of N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is AOESREQMISGCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19(12-13-6-8-17-9-7-13)11-10-18-15-5-3-2-4-14(15)16/h2-9,18H,10-12H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 259.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62559494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).