6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline

C14H12BrClFNO — CID 170702594

IUPAC6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline
SMILESCNc1c(Br)ccc(C)c1Oc1cc(F)ccc1Cl
InChIInChI=1S/C14H12BrClFNO/c1-8-3-5-10(15)13(18-2)14(8)19-12-7-9(17)4-6-11(12)16/h3-7,18H,1-2H3
InChIKeyQFMFEKWQMHJOEX-UHFFFAOYSA-N
MW344.61 g/mol
LogP5.38
Rot. Bonds3

About 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline

6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline (PubChem CID 170702594) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline.

Molecular Properties

Compound Name6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline
PubChem CID170702594
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline
SMILESCNc1c(Br)ccc(C)c1Oc1cc(F)ccc1Cl
InChIInChI=1S/C14H12BrClFNO/c1-8-3-5-10(15)13(18-2)14(8)19-12-7-9(17)4-6-11(12)16/h3-7,18H,1-2H3
InChIKeyQFMFEKWQMHJOEX-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline
CID 170702614
4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline
CID 112740963
4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine
CID 177164955
2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene
CID 175365323
2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
CID 146675459
1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene
CID 56833552
4-(2-bromo-5-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83267100
1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397275
1-bromo-2,5-dichloro-3-(6-chloro-2-fluoro-3-methylphenoxy)benzene;6-chloro-2-fluoro-3-methylphenol
CID 158618289
(2-chloro-5-fluorophenyl) hypoiodite
CID 145463596
1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285261
(3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline
CID 178012757

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline?
The IUPAC name of 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline (CID 170702594) is 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline.
What is the SMILES notation for 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline?
The canonical SMILES for 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline is CNc1c(Br)ccc(C)c1Oc1cc(F)ccc1Cl.
What is the InChIKey of 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline?
The InChIKey is QFMFEKWQMHJOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-8-3-5-10(15)13(18-2)14(8)19-12-7-9(17)4-6-11(12)16/h3-7,18H,1-2H3.
What are the key properties of 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline?
6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline has a molecular weight of 344.61 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline is sourced from PubChem (CID 170702594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).