1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine

C14H13FN2O2 — CID 61079237

IUPAC1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine
SMILESNC(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F
InChIInChI=1S/C14H13FN2O2/c15-13-4-2-1-3-12(13)14(16)9-10-5-7-11(8-6-10)17(18)19/h1-8,14H,9,16H2
InChIKeyCVRSLCAEUAVAAS-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine

1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine (PubChem CID 61079237) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine
PubChem CID61079237
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine
SMILESNC(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F
InChIInChI=1S/C14H13FN2O2/c15-13-4-2-1-3-12(13)14(16)9-10-5-7-11(8-6-10)17(18)19/h1-8,14H,9,16H2
InChIKeyCVRSLCAEUAVAAS-UHFFFAOYSA-N
XLogP2.98
TPSA69.16 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 ≤ 52.98
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

1-[1-bromo-2-(4-nitrophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461161
1-nitro-2-(4-nitrophenyl)ethanamine
CID 87584339
1-chloro-2-(4-nitrophenyl)ethanamine
CID 70573232
2-[1-chloro-2-(4-nitrophenyl)ethyl]-1,4-difluorobenzene
CID 63016833
(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
CID 66514219
1-chloro-2-[1-chloro-2-(4-nitrophenyl)ethyl]-3-fluorobenzene
CID 63518677
2-[1-bromo-2-(4-nitrophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63543288
1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063783
3-amino-4-(4-nitrophenyl)butanenitrile
CID 168957812
(1S)-1-(5-ethyl-3H-pyrrol-2-yl)-2-(4-nitrophenyl)ethanamine
CID 70802643
2-(2-chlorophenyl)-3-(4-nitrophenyl)propanoic acid
CID 79434530
1-(2-bromophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064825

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine (CID 61079237) is 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine is NC(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine?
The InChIKey is CVRSLCAEUAVAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-13-4-2-1-3-12(13)14(16)9-10-5-7-11(8-6-10)17(18)19/h1-8,14H,9,16H2.
What are the key properties of 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine?
1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine has a molecular weight of 260.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 61079237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).