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

C11H16FN3O2 — CID 62641440

IUPACN'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H16FN3O2/c1-3-14(2)8-7-13-10-6-4-5-9(12)11(10)15(16)17/h4-6,13H,3,7-8H2,1-2H3
InChIKeyKFXSYCMUTHHGCG-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.10
Rot. Bonds6

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

N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine (PubChem CID 62641440) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine
PubChem CID62641440
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC NameN'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H16FN3O2/c1-3-14(2)8-7-13-10-6-4-5-9(12)11(10)15(16)17/h4-6,13H,3,7-8H2,1-2H3
InChIKeyKFXSYCMUTHHGCG-UHFFFAOYSA-N
XLogP2.10
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.10
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',N'-diethyl-N-(3-fluoro-2-nitrophenyl)propane-1,3-diamine
CID 60789823
1-(2,6-difluorophenyl)-N'-(3-fluoro-2-nitrophenyl)-N,N-dimethylethane-1,2-diamine
CID 133314758
2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 60789586
N'-(3-fluoro-2-nitrophenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 60790330
N'-(3-fluoro-2-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 60578967
2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 55098004
3-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80802709
3-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80778166
ethyl 4-(3-fluoro-2-nitroanilino)butanoate
CID 64575091
3-fluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-nitroaniline
CID 55200757
5-(3-fluoro-2-nitroanilino)pentanamide
CID 106238518

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine (CID 62641440) is N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine is CCN(C)CCNc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is KFXSYCMUTHHGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-3-14(2)8-7-13-10-6-4-5-9(12)11(10)15(16)17/h4-6,13H,3,7-8H2,1-2H3.
What are the key properties of N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine?
N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 241.27 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62641440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).