4-[(4-fluorophenyl)methylamino]-3-nitrophenol

C13H11FN2O3 — CID 43750808

IUPAC4-[(4-fluorophenyl)methylamino]-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1NCc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)8-15-12-6-5-11(17)7-13(12)16(18)19/h1-7,15,17H,8H2
InChIKeyWZRLWUBCZWUZSE-UHFFFAOYSA-N
MW262.24 g/mol
LogP3.05
Rot. Bonds4

About 4-[(4-fluorophenyl)methylamino]-3-nitrophenol

4-[(4-fluorophenyl)methylamino]-3-nitrophenol (PubChem CID 43750808) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]-3-nitrophenol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]-3-nitrophenol
PubChem CID43750808
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name4-[(4-fluorophenyl)methylamino]-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1NCc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)8-15-12-6-5-11(17)7-13(12)16(18)19/h1-7,15,17H,8H2
InChIKeyWZRLWUBCZWUZSE-UHFFFAOYSA-N
XLogP3.05
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

N-[(4-fluorophenyl)methyl]-4-iodo-2-nitroaniline
CID 66063890
1-N-[(4-fluorophenyl)methyl]-2-nitrobenzene-1,4-diamine
CID 53249324
4-[(2,4-dinitroanilino)methyl]phenol
CID 46530969
3-nitro-4-(1H-pyrrol-3-ylmethylamino)phenol
CID 66410058
N-[(4-chlorophenyl)methyl]-4-fluoro-2-nitroaniline
CID 14952976
2-fluoro-4-[(4-fluoro-2-nitroanilino)methyl]phenol
CID 103680801
5-bromo-4-fluoro-N-[(4-fluorophenyl)methyl]-2-nitroaniline
CID 116736904
2,6-difluoro-4-[(4-fluoro-2-nitroanilino)methyl]phenol
CID 79882230
4-[(5-chloro-2-fluorophenyl)methylamino]-3-nitrophenol
CID 114842015
4-[(2-nitroanilino)methyl]phenol
CID 43425831
4-[(4-fluorophenyl)methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 9311289
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-fluoro-2-nitroaniline
CID 105357843

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]-3-nitrophenol?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]-3-nitrophenol (CID 43750808) is 4-[(4-fluorophenyl)methylamino]-3-nitrophenol.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]-3-nitrophenol?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]-3-nitrophenol is O=[N+]([O-])c1cc(O)ccc1NCc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]-3-nitrophenol?
The InChIKey is WZRLWUBCZWUZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)8-15-12-6-5-11(17)7-13(12)16(18)19/h1-7,15,17H,8H2.
What are the key properties of 4-[(4-fluorophenyl)methylamino]-3-nitrophenol?
4-[(4-fluorophenyl)methylamino]-3-nitrophenol has a molecular weight of 262.24 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]-3-nitrophenol is sourced from PubChem (CID 43750808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).