3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine

C11H15BrFNO — CID 81331914

IUPAC3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCCCOc1cc(F)cc(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-2-14-4-3-5-15-11-7-9(12)6-10(13)8-11/h6-8,14H,2-5H2,1H3
InChIKeyNBOGSXTVNQHAOW-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.97
Rot. Bonds6

About 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine

3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine (PubChem CID 81331914) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
PubChem CID81331914
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCCCOc1cc(F)cc(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-2-14-4-3-5-15-11-7-9(12)6-10(13)8-11/h6-8,14H,2-5H2,1H3
InChIKeyNBOGSXTVNQHAOW-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.97
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

1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
N-[2-(3-bromo-5-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 81326242
6-(3-bromo-5-fluorophenoxy)-N-methylhexan-1-amine
CID 81325393
3-(4-bromo-3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 92922065
1-bromo-3-(2-ethylsulfanylethoxy)-5-fluorobenzene
CID 115967756
N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
CID 62783809
2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
CID 81331369
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine
CID 62347822
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine (CID 81331914) is 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine is CCNCCCOc1cc(F)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine?
The InChIKey is NBOGSXTVNQHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-2-14-4-3-5-15-11-7-9(12)6-10(13)8-11/h6-8,14H,2-5H2,1H3.
What are the key properties of 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine?
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine has a molecular weight of 276.15 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 81331914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).