5-chloro-2-[(2-fluorophenoxy)methyl]aniline

C13H11ClFNO — CID 62102569

IUPAC5-chloro-2-[(2-fluorophenoxy)methyl]aniline
SMILESNc1cc(Cl)ccc1COc1ccccc1F
InChIInChI=1S/C13H11ClFNO/c14-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)15/h1-7H,8,16H2
InChIKeyRUEVMMWIPUHNTM-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.64
Rot. Bonds3

About 5-chloro-2-[(2-fluorophenoxy)methyl]aniline

5-chloro-2-[(2-fluorophenoxy)methyl]aniline (PubChem CID 62102569) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-chloro-2-[(2-fluorophenoxy)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2-fluorophenoxy)methyl]aniline
PubChem CID62102569
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name5-chloro-2-[(2-fluorophenoxy)methyl]aniline
SMILESNc1cc(Cl)ccc1COc1ccccc1F
InChIInChI=1S/C13H11ClFNO/c14-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)15/h1-7H,8,16H2
InChIKeyRUEVMMWIPUHNTM-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

2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline
CID 55037402
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
CID 82716394
5-chloro-2-(quinolin-5-yloxymethyl)aniline
CID 103044256
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
2-[(5-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 114671796
6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117177608
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
5-bromo-2-[(2-chlorophenoxy)methyl]aniline
CID 114380727
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
2-[(2-tert-butylphenoxy)methyl]-4-chloroaniline
CID 79582500

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-fluorophenoxy)methyl]aniline?
The IUPAC name of 5-chloro-2-[(2-fluorophenoxy)methyl]aniline (CID 62102569) is 5-chloro-2-[(2-fluorophenoxy)methyl]aniline.
What is the SMILES notation for 5-chloro-2-[(2-fluorophenoxy)methyl]aniline?
The canonical SMILES for 5-chloro-2-[(2-fluorophenoxy)methyl]aniline is Nc1cc(Cl)ccc1COc1ccccc1F.
What is the InChIKey of 5-chloro-2-[(2-fluorophenoxy)methyl]aniline?
The InChIKey is RUEVMMWIPUHNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)15/h1-7H,8,16H2.
What are the key properties of 5-chloro-2-[(2-fluorophenoxy)methyl]aniline?
5-chloro-2-[(2-fluorophenoxy)methyl]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 5-chloro-2-[(2-fluorophenoxy)methyl]aniline is sourced from PubChem (CID 62102569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).