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

C17H19BrFN — CID 63526719

IUPAC1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H19BrFN/c1-3-20-17(10-13-7-5-4-6-12(13)2)14-8-15(18)11-16(19)9-14/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyFTTHLFUMYCSOSC-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.79
Rot. Bonds5

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

1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine (PubChem CID 63526719) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
PubChem CID63526719
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H19BrFN/c1-3-20-17(10-13-7-5-4-6-12(13)2)14-8-15(18)11-16(19)9-14/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyFTTHLFUMYCSOSC-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048
1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 107974114
1-(3-bromo-5-methylphenyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102866399
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
1-(3-bromo-5-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 66423655
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 79990812
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methylphenyl)ethanamine
CID 106881412

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine (CID 63526719) is 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The InChIKey is FTTHLFUMYCSOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-20-17(10-13-7-5-4-6-12(13)2)14-8-15(18)11-16(19)9-14/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine has a molecular weight of 336.25 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63526719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).