N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine

C13H17BrCl2N2 — CID 28993181

IUPACN-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C13H17BrCl2N2/c1-2-18-5-3-10(4-6-18)17-13-11(15)7-9(14)8-12(13)16/h7-8,10,17H,2-6H2,1H3
InChIKeyQSGGVQKNJKPNJT-UHFFFAOYSA-N
MW352.10 g/mol
LogP4.65
Rot. Bonds3

About N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine

N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine (PubChem CID 28993181) has the molecular formula C13H17BrCl2N2 and a molecular weight of 352.10 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
PubChem CID28993181
Molecular FormulaC13H17BrCl2N2
Molecular Weight352.10 g/mol
Exact Mass350.00
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C13H17BrCl2N2/c1-2-18-5-3-10(4-6-18)17-13-11(15)7-9(14)8-12(13)16/h7-8,10,17H,2-6H2,1H3
InChIKeyQSGGVQKNJKPNJT-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-(2,4,6-trichlorophenyl)azepan-4-amine
CID 65074238
4-bromo-2,6-dichloro-N-cyclopropylaniline
CID 103438876
N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
CID 62976883
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
CID 63425626
1-ethyl-N-(2,4,6-trimethylphenyl)piperidin-4-amine
CID 54861532
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
CID 107619168
3-bromo-5-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 102822285
N-(4-bromo-2,6-dichlorophenyl)thian-4-amine
CID 43511379
5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine
CID 79717567
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine (CID 28993181) is N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine is CCN1CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine?
The InChIKey is QSGGVQKNJKPNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2/c1-2-18-5-3-10(4-6-18)17-13-11(15)7-9(14)8-12(13)16/h7-8,10,17H,2-6H2,1H3.
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine?
N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine has a molecular weight of 352.10 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 28993181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).