N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline

C14H13FN2O2 — CID 30226768

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
SMILESC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-10(11-2-4-12(15)5-3-11)16-13-6-8-14(9-7-13)17(18)19/h2-10,16H,1H3/t10-/m1/s1
InChIKeyFZUFOTMGJBSSGE-SNVBAGLBSA-N
MW260.27 g/mol
LogP3.91
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline (PubChem CID 30226768) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
PubChem CID30226768
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
SMILESC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-10(11-2-4-12(15)5-3-11)16-13-6-8-14(9-7-13)17(18)19/h2-10,16H,1H3/t10-/m1/s1
InChIKeyFZUFOTMGJBSSGE-SNVBAGLBSA-N
XLogP3.91
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.91
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

4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline
CID 62810884
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000
3-N-[1-(4-fluorophenyl)ethyl]-5-nitrobenzene-1,3-diamine
CID 80802455
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-nitroaniline
CID 43785837
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 43425323
2-(4-fluoroanilino)-2-(4-nitrophenyl)ethanol
CID 75238031
N-[1-(4-fluorophenyl)ethyl]-3-iodo-4-nitroaniline
CID 106493194
2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide
CID 47005812
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43194681
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline (CID 30226768) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline is C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline?
The InChIKey is FZUFOTMGJBSSGE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-10(11-2-4-12(15)5-3-11)16-13-6-8-14(9-7-13)17(18)19/h2-10,16H,1H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline has a molecular weight of 260.27 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline is sourced from PubChem (CID 30226768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).