N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine

C15H22BrFN2 — CID 103776164

IUPACN-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H22BrFN2/c1-3-19-8-6-13(7-9-19)18-11(2)14-5-4-12(17)10-15(14)16/h4-5,10-11,13,18H,3,6-9H2,1-2H3
InChIKeySPYADHOLSWDJAO-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.72
Rot. Bonds4

About N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine

N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine (PubChem CID 103776164) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
PubChem CID103776164
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H22BrFN2/c1-3-19-8-6-13(7-9-19)18-11(2)14-5-4-12(17)10-15(14)16/h4-5,10-11,13,18H,3,6-9H2,1-2H3
InChIKeySPYADHOLSWDJAO-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892417
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 43780397
N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 107167172
2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol
CID 113261573
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine
CID 75427924
1-ethyl-N-[1-(4-fluorophenyl)propyl]piperidin-4-amine
CID 54917034
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 103777846

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine (CID 103776164) is N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine is CCN1CCC(NC(C)c2ccc(F)cc2Br)CC1.
What is the InChIKey of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine?
The InChIKey is SPYADHOLSWDJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-3-19-8-6-13(7-9-19)18-11(2)14-5-4-12(17)10-15(14)16/h4-5,10-11,13,18H,3,6-9H2,1-2H3.
What are the key properties of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine?
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine has a molecular weight of 329.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 103776164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).