1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine

C17H19BrFNO — CID 102982300

IUPAC1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1Oc1cc(F)ccc1C
InChIInChI=1S/C17H19BrFNO/c1-4-20-12(3)15-8-6-13(18)9-17(15)21-16-10-14(19)7-5-11(16)2/h5-10,12,20H,4H2,1-3H3
InChIKeyCSDNXSMJWXYWPT-UHFFFAOYSA-N
MW352.25 g/mol
LogP5.36
Rot. Bonds5

About 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine

1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine (PubChem CID 102982300) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
PubChem CID102982300
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1Oc1cc(F)ccc1C
InChIInChI=1S/C17H19BrFNO/c1-4-20-12(3)15-8-6-13(18)9-17(15)21-16-10-14(19)7-5-11(16)2/h5-10,12,20H,4H2,1-3H3
InChIKeyCSDNXSMJWXYWPT-UHFFFAOYSA-N
XLogP5.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82955278
1-[4-bromo-2-(3-fluorophenoxy)phenyl]-N-ethylethanamine
CID 82975645
1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]-N-ethylethanamine
CID 82953588
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582
1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 116689275
1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
CID 107284810
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982237
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 107284790
1-[4-bromo-2-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 82954499
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine (CID 102982300) is 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1Oc1cc(F)ccc1C.
What is the InChIKey of 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine?
The InChIKey is CSDNXSMJWXYWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-4-20-12(3)15-8-6-13(18)9-17(15)21-16-10-14(19)7-5-11(16)2/h5-10,12,20H,4H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine has a molecular weight of 352.25 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 102982300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).