2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine

C16H16BrF2N — CID 79702815

IUPAC2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-20-16(12-4-3-5-14(18)9-12)8-11-6-13(17)10-15(19)7-11/h3-7,9-10,16,20H,2,8H2,1H3
InChIKeyAOIFGZPNEHRGPU-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.62
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine (PubChem CID 79702815) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
PubChem CID79702815
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-20-16(12-4-3-5-14(18)9-12)8-11-6-13(17)10-15(19)7-11/h3-7,9-10,16,20H,2,8H2,1H3
InChIKeyAOIFGZPNEHRGPU-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105015717
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 79709118
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 79709365
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105015730
N-[2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105015509
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414422
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine (CID 79702815) is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine is CCNC(Cc1cc(F)cc(Br)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
The InChIKey is AOIFGZPNEHRGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-20-16(12-4-3-5-14(18)9-12)8-11-6-13(17)10-15(19)7-11/h3-7,9-10,16,20H,2,8H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 79702815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).