2-[(3-chloro-4-fluorophenyl)methoxy]aniline

C13H11ClFNO — CID 103037655

IUPAC2-[(3-chloro-4-fluorophenyl)methoxy]aniline
SMILESNc1ccccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-10-7-9(5-6-11(10)15)8-17-13-4-2-1-3-12(13)16/h1-7H,8,16H2
InChIKeyKWRBSVTZVRHOFU-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.64
Rot. Bonds3

About 2-[(3-chloro-4-fluorophenyl)methoxy]aniline

2-[(3-chloro-4-fluorophenyl)methoxy]aniline (PubChem CID 103037655) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methoxy]aniline
PubChem CID103037655
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-[(3-chloro-4-fluorophenyl)methoxy]aniline
SMILESNc1ccccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-10-7-9(5-6-11(10)15)8-17-13-4-2-1-3-12(13)16/h1-7H,8,16H2
InChIKeyKWRBSVTZVRHOFU-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-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037684
2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
CID 139627675
5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
CID 66076942
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697201
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 117220190
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde
CID 87502246

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]aniline?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]aniline (CID 103037655) is 2-[(3-chloro-4-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methoxy]aniline?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methoxy]aniline is Nc1ccccc1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methoxy]aniline?
The InChIKey is KWRBSVTZVRHOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-10-7-9(5-6-11(10)15)8-17-13-4-2-1-3-12(13)16/h1-7H,8,16H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methoxy]aniline?
2-[(3-chloro-4-fluorophenyl)methoxy]aniline 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-chloro-4-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 103037655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).