N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C11H18FN3O — CID 62849223

IUPACN-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1cccc(F)n1
InChIInChI=1S/C11H18FN3O/c1-15(8-9-16-2)7-6-13-11-5-3-4-10(12)14-11/h3-5H,6-9H2,1-2H3,(H,13,14)
InChIKeyYBQWJXJIQRUCPJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.21
Rot. Bonds7

About N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62849223) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62849223
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC NameN-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1cccc(F)n1
InChIInChI=1S/C11H18FN3O/c1-15(8-9-16-2)7-6-13-11-5-3-4-10(12)14-11/h3-5H,6-9H2,1-2H3,(H,13,14)
InChIKeyYBQWJXJIQRUCPJ-UHFFFAOYSA-N
XLogP1.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-6-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-2,6-diamine
CID 80824639
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830672
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
CID 61228791
N-(2-hydrazinylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80918773
N'-(2-methoxyethyl)-N'-methyl-N-quinoxalin-2-ylethane-1,2-diamine
CID 55126580
N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188
2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 62843269
methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate
CID 66284658
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80919403
N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 106775656
6-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyridin-2-amine
CID 126990897

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62849223) is N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is YBQWJXJIQRUCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-15(8-9-16-2)7-6-13-11-5-3-4-10(12)14-11/h3-5H,6-9H2,1-2H3,(H,13,14).
What are the key properties of N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 227.28 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62849223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).