(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine

C16H17FN2O2 — CID 81347642

IUPAC(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
SMILESC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-12(14-4-6-15(17)7-5-14)18-11-10-13-2-8-16(9-3-13)19(20)21/h2-9,12,18H,10-11H2,1H3/t12-/m1/s1
InChIKeyKXTUHUGFGDHYCF-GFCCVEGCSA-N
MW288.32 g/mol
LogP3.63
Rot. Bonds6

About (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine

(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine (PubChem CID 81347642) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
PubChem CID81347642
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
SMILESC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-12(14-4-6-15(17)7-5-14)18-11-10-13-2-8-16(9-3-13)19(20)21/h2-9,12,18H,10-11H2,1H3/t12-/m1/s1
InChIKeyKXTUHUGFGDHYCF-GFCCVEGCSA-N
XLogP3.63
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.63
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

N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297293
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43191748
N-[1-(4-nitrophenyl)ethyl]-3-phenylpropan-1-amine
CID 43297352
1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 63062284
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
CID 43758274
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
1-(4-nitrophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548130
N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 43534507
4-methyl-N-[1-(4-nitrophenyl)ethyl]pentan-1-amine
CID 54914062
3,3-dimethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 113260560
1-(5-bromofuran-2-yl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 104652865

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine (CID 81347642) is (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine is C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine?
The InChIKey is KXTUHUGFGDHYCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-12(14-4-6-15(17)7-5-14)18-11-10-13-2-8-16(9-3-13)19(20)21/h2-9,12,18H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine?
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine has a molecular weight of 288.32 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine is sourced from PubChem (CID 81347642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).