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

C14H13ClFNO — CID 112651692

IUPAC2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline
SMILESCc1cccc(N)c1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H13ClFNO/c1-9-4-2-7-12(17)14(9)18-8-10-5-3-6-11(16)13(10)15/h2-7H,8,17H2,1H3
InChIKeyUNAJCARWTINLBM-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.95
Rot. Bonds3

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

2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline (PubChem CID 112651692) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline
PubChem CID112651692
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline
SMILESCc1cccc(N)c1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H13ClFNO/c1-9-4-2-7-12(17)14(9)18-8-10-5-3-6-11(16)13(10)15/h2-7H,8,17H2,1H3
InChIKeyUNAJCARWTINLBM-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

4-[(2-chloro-3-fluorophenyl)methoxy]-3,5-dimethylbenzenecarbothioamide
CID 115982909
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613290
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline (CID 112651692) is 2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline is Cc1cccc(N)c1OCc1cccc(F)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline?
The InChIKey is UNAJCARWTINLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-4-2-7-12(17)14(9)18-8-10-5-3-6-11(16)13(10)15/h2-7H,8,17H2,1H3.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline?
2-[(2-chloro-3-fluorophenyl)methoxy]-3-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-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline is sourced from PubChem (CID 112651692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).