3-chloro-N-[(3-fluorophenyl)methoxy]aniline

C13H11ClFNO — CID 139940421

IUPAC3-chloro-N-[(3-fluorophenyl)methoxy]aniline
SMILESFc1cccc(CONc2cccc(Cl)c2)c1
InChIInChI=1S/C13H11ClFNO/c14-11-4-2-6-13(8-11)16-17-9-10-3-1-5-12(15)7-10/h1-8,16H,9H2
InChIKeyXWXGUSLBEVUMLA-UHFFFAOYSA-N
MW251.69 g/mol
LogP4.02
Rot. Bonds4

About 3-chloro-N-[(3-fluorophenyl)methoxy]aniline

3-chloro-N-[(3-fluorophenyl)methoxy]aniline (PubChem CID 139940421) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 3-chloro-N-[(3-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3-chloro-N-[(3-fluorophenyl)methoxy]aniline
PubChem CID139940421
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name3-chloro-N-[(3-fluorophenyl)methoxy]aniline
SMILESFc1cccc(CONc2cccc(Cl)c2)c1
InChIInChI=1S/C13H11ClFNO/c14-11-4-2-6-13(8-11)16-17-9-10-3-1-5-12(15)7-10/h1-8,16H,9H2
InChIKeyXWXGUSLBEVUMLA-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzyloxyaniline
CID 12589378
N-[difluoro(phenyl)methoxy]aniline
CID 53677104
4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine
CID 57034862
3-fluoro-N-phenylmethoxyaniline
CID 59957349
(+/-)-(2-Amino-6-chlorophenyl)-(4-fluorophenyl)methanol
CID 69315535
(+/-)-1-(2-Amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 69318113
2-fluoro-N-(2-phenylethoxy)aniline
CID 87170394
N-[fluoro(phenyl)methoxy]aniline
CID 87377775
3-chloro-N-[[2-(trifluoromethyl)phenyl]methoxy]aniline
CID 90004438
3-chloro-N-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 90004526
1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine
CID 90740148
3-[5-(3,5-Dichlorophenyl)-4-(trifluoromethyl)-2,5-dihydro-1,2-oxazol-3-yl]aniline
CID 91127172

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-fluorophenyl)methoxy]aniline?
The IUPAC name of 3-chloro-N-[(3-fluorophenyl)methoxy]aniline (CID 139940421) is 3-chloro-N-[(3-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 3-chloro-N-[(3-fluorophenyl)methoxy]aniline?
The canonical SMILES for 3-chloro-N-[(3-fluorophenyl)methoxy]aniline is Fc1cccc(CONc2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[(3-fluorophenyl)methoxy]aniline?
The InChIKey is XWXGUSLBEVUMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-11-4-2-6-13(8-11)16-17-9-10-3-1-5-12(15)7-10/h1-8,16H,9H2.
What are the key properties of 3-chloro-N-[(3-fluorophenyl)methoxy]aniline?
3-chloro-N-[(3-fluorophenyl)methoxy]aniline has a molecular weight of 251.69 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 139940421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).