4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile

C14H11FN2O — CID 113444327

IUPAC4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(N)c(OCc2ccccc2F)c1
InChIInChI=1S/C14H11FN2O/c15-12-4-2-1-3-11(12)9-18-14-7-10(8-16)5-6-13(14)17/h1-7H,9,17H2
InChIKeyVSCVGPNDKFOYIL-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.86
Rot. Bonds3

About 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile

4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile (PubChem CID 113444327) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile
PubChem CID113444327
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(N)c(OCc2ccccc2F)c1
InChIInChI=1S/C14H11FN2O/c15-12-4-2-1-3-11(12)9-18-14-7-10(8-16)5-6-13(14)17/h1-7H,9,17H2
InChIKeyVSCVGPNDKFOYIL-UHFFFAOYSA-N
XLogP2.86
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2-amino-4,5-dichlorophenoxy)methyl]-4-fluorobenzonitrile
CID 107498575
4-[(4-amino-2,5-difluorophenoxy)methyl]-3-fluorobenzonitrile
CID 63597416
4-[(3-amino-2-methylphenoxy)methyl]-3-fluorobenzonitrile
CID 43437885
4-amino-3-(furan-2-ylmethoxy)benzonitrile
CID 104712381
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
3-[(2-bromo-3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 107660168
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298
3-fluoro-4-[[2-(3-hydroxyprop-1-ynyl)phenoxy]methyl]benzonitrile
CID 60800589
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634
2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid
CID 107341578
2-[2-[(2-amino-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460512

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile?
The IUPAC name of 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile (CID 113444327) is 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile is N#Cc1ccc(N)c(OCc2ccccc2F)c1.
What is the InChIKey of 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile?
The InChIKey is VSCVGPNDKFOYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-4-2-1-3-11(12)9-18-14-7-10(8-16)5-6-13(14)17/h1-7H,9,17H2.
What are the key properties of 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile?
4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile has a molecular weight of 242.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 113444327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).