(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine

C12H17FN2O2 — CID 171205955

IUPAC(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H17FN2O2/c1-2-3-4-5-12(14)10-8-9(15(16)17)6-7-11(10)13/h6-8,12H,2-5,14H2,1H3/t12-/m1/s1
InChIKeyBDACCIQDQMYPNQ-GFCCVEGCSA-N
MW240.28 g/mol
LogP3.31
Rot. Bonds6

About (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine

(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine (PubChem CID 171205955) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine
PubChem CID171205955
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H17FN2O2/c1-2-3-4-5-12(14)10-8-9(15(16)17)6-7-11(10)13/h6-8,12H,2-5,14H2,1H3/t12-/m1/s1
InChIKeyBDACCIQDQMYPNQ-GFCCVEGCSA-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'}

Analyze (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(2-fluoro-5-nitrophenyl)propan-1-ol;hydrochloride
CID 170874535
(1R)-4,4,4-trifluoro-1-(2-fluoro-5-nitrophenyl)butan-1-amine;hydrochloride
CID 171205964
(1R)-1-(2-fluoro-5-nitrophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205958
(1S)-1-(2-fluoro-5-nitrophenyl)pent-4-en-1-amine;hydrochloride
CID 171225556
1-(4-nitrophenyl)hexan-1-amine
CID 139623106
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
(1S)-1-(2-fluoro-5-nitrophenyl)but-3-en-1-amine
CID 171225529
(1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine
CID 171206065
(1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine
CID 171205959
ethyl (3S)-3-amino-2-fluoro-3-(2-fluoro-5-nitrophenyl)propanoate
CID 171248340
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine?
The IUPAC name of (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine (CID 171205955) is (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine is CCCCC[C@@H](N)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine?
The InChIKey is BDACCIQDQMYPNQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-3-4-5-12(14)10-8-9(15(16)17)6-7-11(10)13/h6-8,12H,2-5,14H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine?
(1R)-1-(2-fluoro-5-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-(2-fluoro-5-nitrophenyl)hexan-1-amine is sourced from PubChem (CID 171205955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).