1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine

C12H17FN2O2 — CID 43443720

IUPAC1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17FN2O2/c1-8(2)11(14)5-3-9-7-10(13)4-6-12(9)15(16)17/h4,6-8,11H,3,5,14H2,1-2H3
InChIKeyJFCHFOGDLJWKED-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.65
Rot. Bonds5

About 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine

1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine (PubChem CID 43443720) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine
PubChem CID43443720
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17FN2O2/c1-8(2)11(14)5-3-9-7-10(13)4-6-12(9)15(16)17/h4,6-8,11H,3,5,14H2,1-2H3
InChIKeyJFCHFOGDLJWKED-UHFFFAOYSA-N
XLogP2.65
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(5-fluoro-2-nitrophenyl)-N,4,4-trimethylpentan-3-amine
CID 54891057
2-(3-chlorohexyl)-4-fluoro-1-nitrobenzene
CID 55135169
1-(5-fluoro-2-nitrophenyl)-4-methylpentan-2-amine
CID 65020156
3-(5-fluoro-2-nitrophenyl)propan-1-amine
CID 43445800
1-(5-fluoro-2-nitrophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 60995850
3-[(5-fluoro-2-nitrophenyl)methylamino]-4-methylpentan-1-ol
CID 104892104
N-(3-amino-4-methylpentyl)-5-fluoro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119659936
N-ethyl-4-(5-fluoro-2-nitrophenyl)-1-methoxybutan-2-amine
CID 62320198
2-(3-chloropropyl)-4-fluoro-1-nitrobenzene
CID 118818885
1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine
CID 63199917
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 43443500
(1R)-1-(5-fluoro-2-nitrophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171206039

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine?
The IUPAC name of 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine (CID 43443720) is 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine.
What is the SMILES notation for 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine?
The canonical SMILES for 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine is CC(C)C(N)CCc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine?
The InChIKey is JFCHFOGDLJWKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)11(14)5-3-9-7-10(13)4-6-12(9)15(16)17/h4,6-8,11H,3,5,14H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine?
1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine has a molecular weight of 240.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine is sourced from PubChem (CID 43443720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).