N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline

C15H15FN2O3 — CID 29053854

IUPACN-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline
SMILESCOc1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-21-12-6-7-14(15(10-12)18(19)20)17-9-8-11-4-2-3-5-13(11)16/h2-7,10,17H,8-9H2,1H3
InChIKeyGXNVTHFUVJALMJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.40
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline

N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline (PubChem CID 29053854) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline
PubChem CID29053854
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline
SMILESCOc1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-21-12-6-7-14(15(10-12)18(19)20)17-9-8-11-4-2-3-5-13(11)16/h2-7,10,17H,8-9H2,1H3
InChIKeyGXNVTHFUVJALMJ-UHFFFAOYSA-N
XLogP3.40
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxy-2-nitroanilino)methyl]phenol
CID 43717858
4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 28549886
1-N-(4-methoxy-2-nitrophenyl)butane-1,3-diamine
CID 63251342
5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline
CID 115469570
1-[4-[2-(2-fluorophenyl)ethylamino]-3-nitrophenyl]pyrrolidine-2,5-dione
CID 15994505
4-methoxy-N-(4-methoxybutyl)-2-nitroaniline
CID 60965413
N-[(2-fluorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 31068793
5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-nitroaniline
CID 115555653
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-nitroaniline
CID 43717849
N-(2,2-difluoroethyl)-4-methoxy-2-nitroaniline
CID 79099283
4-methoxy-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 62197617
N-(3-ethoxypropyl)-4-methoxy-2-nitroaniline
CID 29300264

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline (CID 29053854) is N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline is COc1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline?
The InChIKey is GXNVTHFUVJALMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-21-12-6-7-14(15(10-12)18(19)20)17-9-8-11-4-2-3-5-13(11)16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline?
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline has a molecular weight of 290.29 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline is sourced from PubChem (CID 29053854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).