[2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine

C14H20BrFN2 — CID 114060907

IUPAC[2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
SMILESCCN1CCCC(CN)C1c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2/c1-2-18-7-3-4-10(9-17)14(18)12-6-5-11(16)8-13(12)15/h5-6,8,10,14H,2-4,7,9,17H2,1H3
InChIKeyDWZCUAOQTDYAGW-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.32
Rot. Bonds3

About [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine

[2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine (PubChem CID 114060907) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
PubChem CID114060907
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name[2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
SMILESCCN1CCCC(CN)C1c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2/c1-2-18-7-3-4-10(9-17)14(18)12-6-5-11(16)8-13(12)15/h5-6,8,10,14H,2-4,7,9,17H2,1H3
InChIKeyDWZCUAOQTDYAGW-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 81441629
[1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 114075932
[2-(4-bromo-2-nitrophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 114385755
[2-(4-bromo-3-methylphenyl)-1-ethylazepan-3-yl]methanamine
CID 66479697
[(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine
CID 96604480
[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926966
1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 114866557
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43199275
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66159366
2-(3,4-dibromophenyl)-1-ethylazepan-3-amine
CID 114077570

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine (CID 114060907) is [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine is CCN1CCCC(CN)C1c1ccc(F)cc1Br.
What is the InChIKey of [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine?
The InChIKey is DWZCUAOQTDYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-2-18-7-3-4-10(9-17)14(18)12-6-5-11(16)8-13(12)15/h5-6,8,10,14H,2-4,7,9,17H2,1H3.
What are the key properties of [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine?
[2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine has a molecular weight of 315.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114060907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).