2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline

C15H14ClF2NO2 — CID 83073516

IUPAC2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCNc2c(F)cc(F)cc2Cl)cc1
InChIInChI=1S/C15H14ClF2NO2/c1-20-11-2-4-12(5-3-11)21-7-6-19-15-13(16)8-10(17)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyBJGDWOARDRVQKI-UHFFFAOYSA-N
MW313.73 g/mol
LogP4.12
Rot. Bonds6

About 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline

2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline (PubChem CID 83073516) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline
PubChem CID83073516
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCNc2c(F)cc(F)cc2Cl)cc1
InChIInChI=1S/C15H14ClF2NO2/c1-20-11-2-4-12(5-3-11)21-7-6-19-15-13(16)8-10(17)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyBJGDWOARDRVQKI-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 107611223
2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 83077206
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxyaniline
CID 54796773
2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 83081751
5-bromo-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-2-methylaniline
CID 107592056
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 110758295
2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 107599146
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline
CID 60681036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline (CID 83073516) is 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline is COc1ccc(OCCNc2c(F)cc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The InChIKey is BJGDWOARDRVQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c1-20-11-2-4-12(5-3-11)21-7-6-19-15-13(16)8-10(17)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline?
2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline has a molecular weight of 313.73 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 83073516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).