2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine

C11H15BrFNO — CID 62486029

IUPAC2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO/c1-3-14-7-8(2)15-11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyLAHYVHIRCFQMFV-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine

2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine (PubChem CID 62486029) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
PubChem CID62486029
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO/c1-3-14-7-8(2)15-11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyLAHYVHIRCFQMFV-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62598384
2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615
N-[2-(4-bromo-2-fluorophenoxy)propyl]cyclohexanamine
CID 55092968
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
CID 63516536
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine
CID 83044360
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015367
2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
CID 55077307
2-(2,4-difluorophenoxy)-N-prop-2-ynylpropan-1-amine
CID 62572544
2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine (CID 62486029) is 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine is CCNCC(C)Oc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine?
The InChIKey is LAHYVHIRCFQMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-3-14-7-8(2)15-11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine?
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine has a molecular weight of 276.15 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 62486029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).