1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine

C13H18BrFN2 — CID 107636369

IUPAC1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(c2cc(F)ccc2Br)CC1
InChIInChI=1S/C13H18BrFN2/c1-2-16-11-5-7-17(8-6-11)13-9-10(15)3-4-12(13)14/h3-4,9,11,16H,2,5-8H2,1H3
InChIKeyYRAVJLLTJNCNPY-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.17
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine

1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine (PubChem CID 107636369) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
PubChem CID107636369
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(c2cc(F)ccc2Br)CC1
InChIInChI=1S/C13H18BrFN2/c1-2-16-11-5-7-17(8-6-11)13-9-10(15)3-4-12(13)14/h3-4,9,11,16H,2,5-8H2,1H3
InChIKeyYRAVJLLTJNCNPY-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542
1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
CID 60861637
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine
CID 54967543
N-[[1-(2-bromo-5-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636418
1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine
CID 79766663
1-(2-bromo-5-fluorophenyl)-3-methylazetidine
CID 107641053
1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
CID 82757769
N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
CID 107644995

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine (CID 107636369) is 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine is CCNC1CCN(c2cc(F)ccc2Br)CC1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine?
The InChIKey is YRAVJLLTJNCNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-2-16-11-5-7-17(8-6-11)13-9-10(15)3-4-12(13)14/h3-4,9,11,16H,2,5-8H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine?
1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine has a molecular weight of 301.20 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine is sourced from PubChem (CID 107636369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).