4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline

C15H14BrF2NO — CID 65468405

IUPAC4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C15H14BrF2NO/c1-20-12-4-2-10(3-5-12)6-7-19-15-13(17)8-11(16)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyDJGKIECURWHRNI-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.39
Rot. Bonds5

About 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline

4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline (PubChem CID 65468405) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
PubChem CID65468405
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C15H14BrF2NO/c1-20-12-4-2-10(3-5-12)6-7-19-15-13(17)8-11(16)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyDJGKIECURWHRNI-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 82964700
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
3-fluoro-4-[2-(4-methoxyphenyl)ethylamino]benzonitrile
CID 43657066
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
methyl 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methylamino]benzoate
CID 129239172
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
3-(chloromethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446140

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline (CID 65468405) is 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline is COc1ccc(CCNc2c(F)cc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is DJGKIECURWHRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-20-12-4-2-10(3-5-12)6-7-19-15-13(17)8-11(16)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline?
4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 342.18 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 4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 65468405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).