1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine

C14H20BrFN2 — CID 55170113

IUPAC1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2/c1-10(17)14-4-2-3-7-18(14)9-11-8-12(15)5-6-13(11)16/h5-6,8,10,14H,2-4,7,9,17H2,1H3
InChIKeyRZNGKLZJAXLHFS-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.29
Rot. Bonds3

About 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine

1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine (PubChem CID 55170113) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
PubChem CID55170113
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2/c1-10(17)14-4-2-3-7-18(14)9-11-8-12(15)5-6-13(11)16/h5-6,8,10,14H,2-4,7,9,17H2,1H3
InChIKeyRZNGKLZJAXLHFS-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 63256041
1-[1-[(5-bromo-2-fluorophenyl)methyl]azepan-2-yl]propan-2-ol
CID 114338762
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 43187006
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 55168778
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine
CID 63852929
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
N-[[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580390
1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine (CID 55170113) is 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is RZNGKLZJAXLHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-10(17)14-4-2-3-7-18(14)9-11-8-12(15)5-6-13(11)16/h5-6,8,10,14H,2-4,7,9,17H2,1H3.
What are the key properties of 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 315.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 55170113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).