2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine

C12H17BrFNO — CID 81331369

IUPAC2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFNO/c1-3-15(4-2)5-6-16-12-8-10(13)7-11(14)9-12/h7-9H,3-6H2,1-2H3
InChIKeyYTFCEAVRWQINEW-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.31
Rot. Bonds6

About 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine

2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine (PubChem CID 81331369) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
PubChem CID81331369
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFNO/c1-3-15(4-2)5-6-16-12-8-10(13)7-11(14)9-12/h7-9H,3-6H2,1-2H3
InChIKeyYTFCEAVRWQINEW-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
1-bromo-3-(2-ethylsulfanylethoxy)-5-fluorobenzene
CID 115967756
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914
N-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 120965903
6-(3-bromo-5-fluorophenoxy)-N-methylhexan-1-amine
CID 81325393
2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine
CID 58603321
4-(3-bromo-5-fluorophenoxy)-2-ethoxybutan-1-amine
CID 81332335
N-[2-(3-bromo-5-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 81326242
1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
CID 81332352
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole
CID 80964955
2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine
CID 2246319

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine (CID 81331369) is 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine is CCN(CC)CCOc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine?
The InChIKey is YTFCEAVRWQINEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-15(4-2)5-6-16-12-8-10(13)7-11(14)9-12/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine?
2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine has a molecular weight of 290.18 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine is sourced from PubChem (CID 81331369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).