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

C16H20FN3 — CID 62554058

IUPACN'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccccc1F)Cc1ccncc1
InChIInChI=1S/C16H20FN3/c1-2-20(13-14-7-9-18-10-8-14)12-11-19-16-6-4-3-5-15(16)17/h3-10,19H,2,11-13H2,1H3
InChIKeyHJSLPNOXQCODRO-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.15
Rot. Bonds7

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

N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 62554058) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID62554058
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccccc1F)Cc1ccncc1
InChIInChI=1S/C16H20FN3/c1-2-20(13-14-7-9-18-10-8-14)12-11-19-16-6-4-3-5-15(16)17/h3-10,19H,2,11-13H2,1H3
InChIKeyHJSLPNOXQCODRO-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 62575062
N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62559494
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62553729
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62612946
N'-[(4-bromophenyl)methyl]-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63502076
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
N'-benzyl-N-(4-bromophenyl)-N'-ethylethane-1,2-diamine
CID 63502514
N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
CID 62555695
N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 62554058) is N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCN(CCNc1ccccc1F)Cc1ccncc1.
What is the InChIKey of N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is HJSLPNOXQCODRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-2-20(13-14-7-9-18-10-8-14)12-11-19-16-6-4-3-5-15(16)17/h3-10,19H,2,11-13H2,1H3.
What are the key properties of N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 273.36 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).