N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C8H19FN2O — CID 80695332

IUPACN-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCCF
InChIInChI=1S/C8H19FN2O/c1-11(7-8-12-2)6-5-10-4-3-9/h10H,3-8H2,1-2H3
InChIKeyDWFPZAGSFRAUOM-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.12
Rot. Bonds8

About N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 80695332) has the molecular formula C8H19FN2O and a molecular weight of 178.25 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID80695332
Molecular FormulaC8H19FN2O
Molecular Weight178.25 g/mol
Exact Mass178.15
IUPAC NameN-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCCF
InChIInChI=1S/C8H19FN2O/c1-11(7-8-12-2)6-5-10-4-3-9/h10H,3-8H2,1-2H3
InChIKeyDWFPZAGSFRAUOM-UHFFFAOYSA-N
XLogP0.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile
CID 62843290
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62557035
N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55126815
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 62844322
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
CID 62843976
N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
CID 77030327
N-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619
3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol
CID 114493091

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 80695332) is N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNCCF.
What is the InChIKey of N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is DWFPZAGSFRAUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O/c1-11(7-8-12-2)6-5-10-4-3-9/h10H,3-8H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 178.25 g/mol, XLogP of 0.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 80695332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).