N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine

C11H15F2N3O2 — CID 55098004

IUPACN-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C11H15F2N3O2/c1-3-15(2)7-6-14-11-9(16(17)18)5-4-8(12)10(11)13/h4-5,14H,3,6-7H2,1-2H3
InChIKeyUGTMXHUSIMOMLK-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.24
Rot. Bonds6

About N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 55098004) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID55098004
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC NameN-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C11H15F2N3O2/c1-3-15(2)7-6-14-11-9(16(17)18)5-4-8(12)10(11)13/h4-5,14H,3,6-7H2,1-2H3
InChIKeyUGTMXHUSIMOMLK-UHFFFAOYSA-N
XLogP2.24
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylbutyl)-2,3-difluoro-6-nitroaniline
CID 103462610
N-[2-(2,3-difluoro-6-nitroanilino)ethyl]methanesulfonamide
CID 55086018
3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide
CID 113410718
4-(2,3-difluoro-6-nitroanilino)butan-1-ol
CID 106842471
2,3-difluoro-N-(3-methylsulfonylpropyl)-6-nitroaniline
CID 62532304
N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 62641440
2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 62533658
2,3-difluoro-6-nitro-N-(2-phenylsulfanylethyl)aniline
CID 62532646
3-(2,3-difluoro-6-nitroanilino)-2,2-dimethylpropanoic acid
CID 115427624
3-amino-4-(2,3-difluoro-6-nitroanilino)butan-2-ol
CID 64540429
1-(2,3-difluoro-6-nitroanilino)-4,4-dimethylpentan-2-ol
CID 107153103
2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide
CID 106239487

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 55098004) is N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1c([N+](=O)[O-])ccc(F)c1F.
What is the InChIKey of N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is UGTMXHUSIMOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-3-15(2)7-6-14-11-9(16(17)18)5-4-8(12)10(11)13/h4-5,14H,3,6-7H2,1-2H3.
What are the key properties of N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 259.26 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55098004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).