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

C16H17FN2O2 — CID 43297293

IUPACN-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
SMILESCC(NCCc1ccccc1F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17FN2O2/c1-12(13-6-8-15(9-7-13)19(20)21)18-11-10-14-4-2-3-5-16(14)17/h2-9,12,18H,10-11H2,1H3
InChIKeyHACKUDKWBFROIA-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.63
Rot. Bonds6

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

N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine (PubChem CID 43297293) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
PubChem CID43297293
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
SMILESCC(NCCc1ccccc1F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17FN2O2/c1-12(13-6-8-15(9-7-13)19(20)21)18-11-10-14-4-2-3-5-16(14)17/h2-9,12,18H,10-11H2,1H3
InChIKeyHACKUDKWBFROIA-UHFFFAOYSA-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-(2-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43095856
1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 63062284
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43297299
(1S)-1-(4-methylphenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81349422
N-[1-(4-nitrophenyl)ethyl]-3-phenylpropan-1-amine
CID 43297352
(1R)-1-(4-bromophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81356224
N-[(2,5-difluorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 63793388
(1R)-1-(3-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81352544
N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine
CID 167788707
3,3-dimethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 113260560
4-methyl-N-[1-(4-nitrophenyl)ethyl]pentan-1-amine
CID 54914062

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine (CID 43297293) is N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine is CC(NCCc1ccccc1F)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine?
The InChIKey is HACKUDKWBFROIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-12(13-6-8-15(9-7-13)19(20)21)18-11-10-14-4-2-3-5-16(14)17/h2-9,12,18H,10-11H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine?
N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)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 N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 43297293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).