N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine

C10H14FN3O2 — CID 103594147

IUPACN'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine
SMILESCNCCNc1cc(C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14FN3O2/c1-7-5-9(13-4-3-12-2)10(14(15)16)6-8(7)11/h5-6,12-13H,3-4H2,1-2H3
InChIKeyNAWHMXGWFPCYSI-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.67
Rot. Bonds5

About N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine

N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine (PubChem CID 103594147) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine
PubChem CID103594147
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC NameN'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine
SMILESCNCCNc1cc(C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14FN3O2/c1-7-5-9(13-4-3-12-2)10(14(15)16)6-8(7)11/h5-6,12-13H,3-4H2,1-2H3
InChIKeyNAWHMXGWFPCYSI-UHFFFAOYSA-N
XLogP1.67
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-5-methyl-2-nitroanilino)propanoic acid
CID 103591110
4-fluoro-5-methyl-N-(7-methyloctyl)-2-nitroaniline
CID 107816072
4-fluoro-5-methyl-2-nitro-N-(5,5,5-trifluoropentyl)aniline
CID 103591828
4-fluoro-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-2-nitroaniline
CID 103591637
N',N'-diethyl-N-(4-fluoro-5-methyl-2-nitrophenyl)propane-1,3-diamine
CID 103591456
4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline
CID 103591656
1-(4-fluoro-5-methyl-2-nitroanilino)-2-methylpropan-2-ol
CID 103591758
2-(4-fluoro-5-methyl-2-nitroanilino)acetamide
CID 103591433
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
4-fluoro-5-methyl-2-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 103591460
4-(4-fluoro-5-methyl-2-nitroanilino)-1-methoxybutan-2-ol
CID 106248139
methyl 6-(4-fluoro-5-methyl-2-nitroanilino)hexanoate
CID 103594320

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine (CID 103594147) is N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine is CNCCNc1cc(C)c(F)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine?
The InChIKey is NAWHMXGWFPCYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-7-5-9(13-4-3-12-2)10(14(15)16)6-8(7)11/h5-6,12-13H,3-4H2,1-2H3.
What are the key properties of N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine?
N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine has a molecular weight of 227.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 103594147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).