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

C14H13ClFNO — CID 102855353

IUPAC2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2cccc(Cl)c2F)c(N)c1
InChIInChI=1S/C14H13ClFNO/c1-9-5-6-13(12(17)7-9)18-8-10-3-2-4-11(15)14(10)16/h2-7H,8,17H2,1H3
InChIKeyVWEPLSWAKJWCLW-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.95
Rot. Bonds3

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

2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline (PubChem CID 102855353) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
PubChem CID102855353
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2cccc(Cl)c2F)c(N)c1
InChIInChI=1S/C14H13ClFNO/c1-9-5-6-13(12(17)7-9)18-8-10-3-2-4-11(15)14(10)16/h2-7H,8,17H2,1H3
InChIKeyVWEPLSWAKJWCLW-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-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
3-[(2-amino-4-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107113741
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 102856296
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
3-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 102858082
3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 102855362
2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 102855854
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline (CID 102855353) is 2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline is Cc1ccc(OCc2cccc(Cl)c2F)c(N)c1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline?
The InChIKey is VWEPLSWAKJWCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-5-6-13(12(17)7-9)18-8-10-3-2-4-11(15)14(10)16/h2-7H,8,17H2,1H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline?
2-[(3-chloro-2-fluorophenyl)methoxy]-5-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 2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline is sourced from PubChem (CID 102855353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).