2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine

C16H17BrFNO — CID 115533554

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-2-20-16-6-4-3-5-14(16)15(19)9-11-7-12(17)10-13(18)8-11/h3-8,10,15H,2,9,19H2,1H3
InChIKeyQPKARPOIDUPYDX-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.23
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine

2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine (PubChem CID 115533554) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine
PubChem CID115533554
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-2-20-16-6-4-3-5-14(16)15(19)9-11-7-12(17)10-13(18)8-11/h3-8,10,15H,2,9,19H2,1H3
InChIKeyQPKARPOIDUPYDX-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 61077982
2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105169346
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
CID 105169391
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine (CID 115533554) is 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(N)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is QPKARPOIDUPYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-2-20-16-6-4-3-5-14(16)15(19)9-11-7-12(17)10-13(18)8-11/h3-8,10,15H,2,9,19H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 115533554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).