1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine

C15H22BrFN2 — CID 82970687

IUPAC1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C(C)c2ccc(Br)cc2F)C1
InChIInChI=1S/C15H22BrFN2/c1-10(18)12-4-3-7-19(9-12)11(2)14-6-5-13(16)8-15(14)17/h5-6,8,10-12H,3-4,7,9,18H2,1-2H3
InChIKeyYDIJGTMMTFXFIV-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.71
Rot. Bonds3

About 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine

1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine (PubChem CID 82970687) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
PubChem CID82970687
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C(C)c2ccc(Br)cc2F)C1
InChIInChI=1S/C15H22BrFN2/c1-10(18)12-4-3-7-19(9-12)11(2)14-6-5-13(16)8-15(14)17/h5-6,8,10-12H,3-4,7,9,18H2,1-2H3
InChIKeyYDIJGTMMTFXFIV-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
CID 119034422
1-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 82974099
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 124592217
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 82773660
1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925793
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248
2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82774438
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
1-[1-(4-bromo-2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 82973600
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine (CID 82970687) is 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(C(C)c2ccc(Br)cc2F)C1.
What is the InChIKey of 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine?
The InChIKey is YDIJGTMMTFXFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-10(18)12-4-3-7-19(9-12)11(2)14-6-5-13(16)8-15(14)17/h5-6,8,10-12H,3-4,7,9,18H2,1-2H3.
What are the key properties of 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine?
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 82970687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).