1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine

C14H18BrF2N — CID 114224776

IUPAC1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
SMILESCNC(CC1CCC(F)(F)C1)c1cccc(Br)c1
InChIInChI=1S/C14H18BrF2N/c1-18-13(11-3-2-4-12(15)8-11)7-10-5-6-14(16,17)9-10/h2-4,8,10,13,18H,5-7,9H2,1H3
InChIKeyJGWPKXPALLORLZ-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.54
Rot. Bonds4

About 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine

1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine (PubChem CID 114224776) has the molecular formula C14H18BrF2N and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
PubChem CID114224776
Molecular FormulaC14H18BrF2N
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
SMILESCNC(CC1CCC(F)(F)C1)c1cccc(Br)c1
InChIInChI=1S/C14H18BrF2N/c1-18-13(11-3-2-4-12(15)8-11)7-10-5-6-14(16,17)9-10/h2-4,8,10,13,18H,5-7,9H2,1H3
InChIKeyJGWPKXPALLORLZ-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3,3-difluorocyclopentyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 114226042
[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114226017
1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114225805
[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114225992
2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 114224917
[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 114225939
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948
2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol
CID 114225420
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611
1-(3-bromophenyl)-3-(4-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62618283
(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
CID 114223881
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine (CID 114224776) is 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine is CNC(CC1CCC(F)(F)C1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine?
The InChIKey is JGWPKXPALLORLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N/c1-18-13(11-3-2-4-12(15)8-11)7-10-5-6-14(16,17)9-10/h2-4,8,10,13,18H,5-7,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine?
1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine has a molecular weight of 318.21 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine is sourced from PubChem (CID 114224776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).