(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine

C14H13FN2O2S — CID 63370307

IUPAC(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O2S/c1-9(16)11-8-10(15)6-7-13(11)20-14-5-3-2-4-12(14)17(18)19/h2-9H,16H2,1H3/t9-/m1/s1
InChIKeyKDTNOKGKADVGHA-SECBINFHSA-N
MW292.33 g/mol
LogP3.90
Rot. Bonds4

About (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine

(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine (PubChem CID 63370307) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine
PubChem CID63370307
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O2S/c1-9(16)11-8-10(15)6-7-13(11)20-14-5-3-2-4-12(14)17(18)19/h2-9H,16H2,1H3/t9-/m1/s1
InChIKeyKDTNOKGKADVGHA-SECBINFHSA-N
XLogP3.90
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.90
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'}

Analyze (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine 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

(1R)-1-[3-fluoro-4-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370294
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 63370153
(1S)-1-[3-bromo-4-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370338
5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide
CID 77004177
(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
CID 55240820
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
2-(5-fluoro-2-nitrophenyl)sulfanylphenol
CID 62375935
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717188
1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717189

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine (CID 63370307) is (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine is C[C@@H](N)c1cc(F)ccc1Sc1ccccc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine?
The InChIKey is KDTNOKGKADVGHA-SECBINFHSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-9(16)11-8-10(15)6-7-13(11)20-14-5-3-2-4-12(14)17(18)19/h2-9H,16H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine?
(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine has a molecular weight of 292.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 63370307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).