N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine

C14H23FN2O2 — CID 55089867

IUPACN-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNc1cccc(F)c1)CCOC
InChIInChI=1S/C14H23FN2O2/c1-18-10-8-17(9-11-19-2)7-6-16-14-5-3-4-13(15)12-14/h3-5,12,16H,6-11H2,1-2H3
InChIKeyATVZCZQNNLZCJE-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.83
Rot. Bonds10

About N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine

N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 55089867) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
PubChem CID55089867
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC NameN-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNc1cccc(F)c1)CCOC
InChIInChI=1S/C14H23FN2O2/c1-18-10-8-17(9-11-19-2)7-6-16-14-5-3-4-13(15)12-14/h3-5,12,16H,6-11H2,1-2H3
InChIKeyATVZCZQNNLZCJE-UHFFFAOYSA-N
XLogP1.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62555115
N',N'-bis(2-methoxyethyl)-N-pyridin-3-ylethane-1,2-diamine
CID 67897474
N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62556159
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]aniline
CID 63685534
N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754
N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 63502191
N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561317
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232
N-(3-fluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557336
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine (CID 55089867) is N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine is COCCN(CCNc1cccc(F)c1)CCOC.
What is the InChIKey of N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is ATVZCZQNNLZCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-18-10-8-17(9-11-19-2)7-6-16-14-5-3-4-13(15)12-14/h3-5,12,16H,6-11H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 270.35 g/mol, XLogP of 1.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).