2-[(3-chlorophenyl)methoxy]-3-fluoroaniline

C13H11ClFNO — CID 104831215

IUPAC2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
SMILESNc1cccc(F)c1OCc1cccc(Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-10-4-1-3-9(7-10)8-17-13-11(15)5-2-6-12(13)16/h1-7H,8,16H2
InChIKeySFEZTSYOWWRLNQ-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.64
Rot. Bonds3

About 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline

2-[(3-chlorophenyl)methoxy]-3-fluoroaniline (PubChem CID 104831215) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
PubChem CID104831215
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
SMILESNc1cccc(F)c1OCc1cccc(Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-10-4-1-3-9(7-10)8-17-13-11(15)5-2-6-12(13)16/h1-7H,8,16H2
InChIKeySFEZTSYOWWRLNQ-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
CID 81267909
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
2-bromo-5-[(2-chloro-6-fluorophenoxy)methyl]aniline
CID 83051603
6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
CID 114073469
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline
CID 113458205
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline (CID 104831215) is 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline is Nc1cccc(F)c1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline?
The InChIKey is SFEZTSYOWWRLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-10-4-1-3-9(7-10)8-17-13-11(15)5-2-6-12(13)16/h1-7H,8,16H2.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline?
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline has a molecular weight of 251.69 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 104831215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).