(1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine

C12H17FN2O2 — CID 171206065

IUPAC(1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17FN2O2/c1-2-3-4-5-11(14)10-7-6-9(13)8-12(10)15(16)17/h6-8,11H,2-5,14H2,1H3/t11-/m1/s1
InChIKeyIJTKFQJGURXZFS-LLVKDONJSA-N
MW240.28 g/mol
LogP3.31
Rot. Bonds6

About (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine

(1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine (PubChem CID 171206065) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine
PubChem CID171206065
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17FN2O2/c1-2-3-4-5-11(14)10-7-6-9(13)8-12(10)15(16)17/h6-8,11H,2-5,14H2,1H3/t11-/m1/s1
InChIKeyIJTKFQJGURXZFS-LLVKDONJSA-N
XLogP3.31
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1R)-1-(4-fluoro-2-nitrophenyl)pentane-1,5-diamine
CID 171206054
(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 131159061
(1S)-1-(4-fluoro-2-nitrophenyl)-4-methylpentan-1-amine
CID 171225670
(1S)-3-fluoro-1-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 171225652
ethyl (3R)-3-amino-3-(4-fluoro-2-nitrophenyl)propanoate
CID 171206098
1-[(1R)-1-(4-fluoro-2-nitrophenyl)hexyl]piperazine
CID 171307863
(1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine
CID 171205999
(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine
CID 171205955
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
(4S)-4-amino-4-(5-fluoro-2-nitrophenyl)butan-1-ol
CID 171225623
(1R)-1-(5-fluoro-2-nitrophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171206039
2-[(1S)-1-aminohexyl]-4-fluorophenol
CID 171218475

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine?
The IUPAC name of (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine (CID 171206065) is (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine is CCCCC[C@@H](N)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine?
The InChIKey is IJTKFQJGURXZFS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-3-4-5-11(14)10-7-6-9(13)8-12(10)15(16)17/h6-8,11H,2-5,14H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine?
(1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine has a molecular weight of 240.28 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine is sourced from PubChem (CID 171206065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).