N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline

C15H15BrFNO — CID 63490686

IUPACN-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NCCOc1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-11-14(17)3-2-4-15(11)18-9-10-19-13-7-5-12(16)6-8-13/h2-8,18H,9-10H2,1H3
InChIKeyWJSVZNDWINZYEP-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.39
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline

N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline (PubChem CID 63490686) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline
PubChem CID63490686
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NCCOc1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-11-14(17)3-2-4-15(11)18-9-10-19-13-7-5-12(16)6-8-13/h2-8,18H,9-10H2,1H3
InChIKeyWJSVZNDWINZYEP-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.39
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

4-[2-(3-fluoro-2-methylanilino)ethoxy]benzoic acid
CID 103243616
N-[2-(4-bromophenoxy)ethyl]-2-methylsulfanylaniline
CID 103604397
5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline
CID 63488371
N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline
CID 63488256
3-bromo-N-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)aniline
CID 63491176
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-fluoroaniline
CID 83141086
N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
CID 60678805
N-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)aniline
CID 61063112
N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dimethylaniline
CID 54797775
3-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-methylaniline
CID 54797152
N-[2-(4-bromophenoxy)ethyl]-3-methylsulfonyl-2-nitroaniline
CID 133393784
N-[2-(4-bromophenoxy)ethyl]-3-iodoaniline
CID 63487821

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline (CID 63490686) is N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline is Cc1c(F)cccc1NCCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline?
The InChIKey is WJSVZNDWINZYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-11-14(17)3-2-4-15(11)18-9-10-19-13-7-5-12(16)6-8-13/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline?
N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline has a molecular weight of 324.19 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline is sourced from PubChem (CID 63490686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).