5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline

C14H13ClFNO — CID 114252440

IUPAC5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2ccc(F)c(Cl)c2)cc1N
InChIInChI=1S/C14H13ClFNO/c1-9-2-4-11(7-14(9)17)18-8-10-3-5-13(16)12(15)6-10/h2-7H,8,17H2,1H3
InChIKeyZNIOHWZEERLYGA-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.95
Rot. Bonds3

About 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline

5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline (PubChem CID 114252440) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
PubChem CID114252440
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2ccc(F)c(Cl)c2)cc1N
InChIInChI=1S/C14H13ClFNO/c1-9-2-4-11(7-14(9)17)18-8-10-3-5-13(16)12(15)6-10/h2-7H,8,17H2,1H3
InChIKeyZNIOHWZEERLYGA-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.95
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-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
5-[(4-fluorophenoxy)methyl]-2-methylaniline
CID 117221912
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037850
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate
CID 103037722
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline (CID 114252440) is 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline is Cc1ccc(OCc2ccc(F)c(Cl)c2)cc1N.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline?
The InChIKey is ZNIOHWZEERLYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-2-4-11(7-14(9)17)18-8-10-3-5-13(16)12(15)6-10/h2-7H,8,17H2,1H3.
What are the key properties of 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline?
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline has a molecular weight of 265.72 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline is sourced from PubChem (CID 114252440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).