2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine

C18H19BrFN — CID 63078622

IUPAC2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19BrFN/c1-21-17(12-13-11-15(20)7-8-16(13)19)18(9-10-18)14-5-3-2-4-6-14/h2-8,11,17,21H,9-10,12H2,1H3
InChIKeyXCAGBDKOQVJLIW-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.45
Rot. Bonds5

About 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine

2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine (PubChem CID 63078622) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
PubChem CID63078622
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19BrFN/c1-21-17(12-13-11-15(20)7-8-16(13)19)18(9-10-18)14-5-3-2-4-6-14/h2-8,11,17,21H,9-10,12H2,1H3
InChIKeyXCAGBDKOQVJLIW-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63080919
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115843879
2-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65321924
2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004316
2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine
CID 63417537
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65477303
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine (CID 63078622) is 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine is CNC(Cc1cc(F)ccc1Br)C1(c2ccccc2)CC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine?
The InChIKey is XCAGBDKOQVJLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-21-17(12-13-11-15(20)7-8-16(13)19)18(9-10-18)14-5-3-2-4-6-14/h2-8,11,17,21H,9-10,12H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine?
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine has a molecular weight of 348.26 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 63078622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).