N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

C15H22BrFN2 — CID 54938184

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2/c1-12(11-19-7-3-2-4-8-19)18-10-13-5-6-14(17)9-15(13)16/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3
InChIKeyGWKSTFVHKRIFAH-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.55
Rot. Bonds5

About N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 54938184) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID54938184
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2/c1-12(11-19-7-3-2-4-8-19)18-10-13-5-6-14(17)9-15(13)16/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3
InChIKeyGWKSTFVHKRIFAH-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 102615571
1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
CID 103792650
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61060737
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine
CID 83014067
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 103777846
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107972034

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 54938184) is N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NCc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is GWKSTFVHKRIFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-12(11-19-7-3-2-4-8-19)18-10-13-5-6-14(17)9-15(13)16/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 329.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 54938184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).