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

C15H24FN3O2 — CID 103591616

IUPAC2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCc1cc(NC(CC(C)C)CN(C)C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H24FN3O2/c1-10(2)6-12(9-18(4)5)17-14-7-11(3)13(16)8-15(14)19(20)21/h7-8,10,12,17H,6,9H2,1-5H3
InChIKeyIVWBLZNTEGTKSS-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.43
Rot. Bonds7

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

2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 103591616) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID103591616
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCc1cc(NC(CC(C)C)CN(C)C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H24FN3O2/c1-10(2)6-12(9-18(4)5)17-14-7-11(3)13(16)8-15(14)19(20)21/h7-8,10,12,17H,6,9H2,1-5H3
InChIKeyIVWBLZNTEGTKSS-UHFFFAOYSA-N
XLogP3.43
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.43
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

2-N-(4-fluoro-5-methyl-2-nitrophenyl)-4-methylpentane-1,2-diamine
CID 103594176
2-N-(5-fluoro-4-iodo-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 66099657
2-N-(4-iodo-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 66066470
1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine
CID 79173449
4-fluoro-5-methyl-N-(7-methyloctyl)-2-nitroaniline
CID 107816072
4-fluoro-5-methyl-2-nitro-N-pent-4-en-2-ylaniline
CID 103591884
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80783851
4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline
CID 103591618
N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 103594147
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
(2R)-2-(2-fluoro-5-methyl-4-nitroanilino)-4-methylpentanoic acid
CID 122049280
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 103591616) is 2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine is Cc1cc(NC(CC(C)C)CN(C)C)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is IVWBLZNTEGTKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-10(2)6-12(9-18(4)5)17-14-7-11(3)13(16)8-15(14)19(20)21/h7-8,10,12,17H,6,9H2,1-5H3.
What are the key properties of 2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 297.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 103591616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).