2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine

C13H15BrF3N — CID 114216183

IUPAC2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)C1CCC(F)(F)C1
InChIInChI=1S/C13H15BrF3N/c14-12-8(2-1-3-10(12)15)6-11(18)9-4-5-13(16,17)7-9/h1-3,9,11H,4-7,18H2
InChIKeyWKHDNFDIIQXKMS-UHFFFAOYSA-N
MW322.17 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine

2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine (PubChem CID 114216183) has the molecular formula C13H15BrF3N and a molecular weight of 322.17 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine
PubChem CID114216183
Molecular FormulaC13H15BrF3N
Molecular Weight322.17 g/mol
Exact Mass321.03
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)C1CCC(F)(F)C1
InChIInChI=1S/C13H15BrF3N/c14-12-8(2-1-3-10(12)15)6-11(18)9-4-5-13(16,17)7-9/h1-3,9,11H,4-7,18H2
InChIKeyWKHDNFDIIQXKMS-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine
CID 114215925
2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine
CID 105087726
2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105172197
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanamine
CID 105020628
2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105020731
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
[2-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105020643
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
[2-(2-chloro-6-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114216989

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine (CID 114216183) is 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine is NC(Cc1cccc(F)c1Br)C1CCC(F)(F)C1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine?
The InChIKey is WKHDNFDIIQXKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N/c14-12-8(2-1-3-10(12)15)6-11(18)9-4-5-13(16,17)7-9/h1-3,9,11H,4-7,18H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine has a molecular weight of 322.17 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine is sourced from PubChem (CID 114216183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).