N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine

C11H16F2N2 — CID 28792510

IUPACN'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1c(F)cccc1F
InChIInChI=1S/C11H16F2N2/c1-2-15(8-4-7-14)11-9(12)5-3-6-10(11)13/h3,5-6H,2,4,7-8,14H2,1H3
InChIKeyNSPKBUIOBQWPNJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.14
Rot. Bonds5

About N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine

N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine (PubChem CID 28792510) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
PubChem CID28792510
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1c(F)cccc1F
InChIInChI=1S/C11H16F2N2/c1-2-15(8-4-7-14)11-9(12)5-3-6-10(11)13/h3,5-6H,2,4,7-8,14H2,1H3
InChIKeyNSPKBUIOBQWPNJ-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
CID 114059235
N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 43807495
N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28772955
N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
N'-ethyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313462
N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
CID 28772957
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 114059130
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28792366
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine (CID 28792510) is N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine is CCN(CCCN)c1c(F)cccc1F.
What is the InChIKey of N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is NSPKBUIOBQWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-2-15(8-4-7-14)11-9(12)5-3-6-10(11)13/h3,5-6H,2,4,7-8,14H2,1H3.
What are the key properties of N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine?
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 214.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 28792510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).