N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline

C15H15ClFNO — CID 82726941

IUPACN-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCOc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-11-4-2-3-5-15(11)18-8-9-19-12-6-7-13(16)14(17)10-12/h2-7,10,18H,8-9H2,1H3
InChIKeyVYYNRNQFZLEJFH-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.28
Rot. Bonds5

About N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline

N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline (PubChem CID 82726941) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline
PubChem CID82726941
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCOc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-11-4-2-3-5-15(11)18-8-9-19-12-6-7-13(16)14(17)10-12/h2-7,10,18H,8-9H2,1H3
InChIKeyVYYNRNQFZLEJFH-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
N-[4-(4-chlorophenoxy)butyl]-2-methylaniline
CID 82096216
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-fluoroaniline
CID 83141086
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
CID 63505898
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
N-[2-(4-chloro-3-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 82727082
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 82727666
N-[2-(4-chloro-3-fluorophenoxy)ethyl]butan-1-amine
CID 82727610

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline (CID 82726941) is N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline is Cc1ccccc1NCCOc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline?
The InChIKey is VYYNRNQFZLEJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-11-4-2-3-5-15(11)18-8-9-19-12-6-7-13(16)14(17)10-12/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline?
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline has a molecular weight of 279.74 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline is sourced from PubChem (CID 82726941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).