1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine

C17H27BrN2 — CID 82972044

IUPAC1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1N1CCCC(CC)C1
InChIInChI=1S/C17H27BrN2/c1-4-14-7-6-10-20(12-14)17-11-15(18)8-9-16(17)13(3)19-5-2/h8-9,11,13-14,19H,4-7,10,12H2,1-3H3
InChIKeyBDBRALVXZDLGOS-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.75
Rot. Bonds5

About 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine

1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine (PubChem CID 82972044) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
PubChem CID82972044
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1N1CCCC(CC)C1
InChIInChI=1S/C17H27BrN2/c1-4-14-7-6-10-20(12-14)17-11-15(18)8-9-16(17)13(3)19-5-2/h8-9,11,13-14,19H,4-7,10,12H2,1-3H3
InChIKeyBDBRALVXZDLGOS-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(3,4-dimethylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82968312
N-[1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82956373
1-[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 82968326
1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
CID 82972274
1-[4-bromo-2-(1,4-thiazepan-4-yl)phenyl]-N-ethylethanamine
CID 82971896
1-[4-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956361
4-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-1-methyl-1,4-diazepan-2-one
CID 102889329
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]-N-ethylethanamine
CID 82968313
[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
CID 114061365
1-[4-bromo-2-(4-propan-2-ylazepan-1-yl)phenyl]-N-methylethanamine
CID 82956637
1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62908518
1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 103534496

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine (CID 82972044) is 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1N1CCCC(CC)C1.
What is the InChIKey of 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is BDBRALVXZDLGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-14-7-6-10-20(12-14)17-11-15(18)8-9-16(17)13(3)19-5-2/h8-9,11,13-14,19H,4-7,10,12H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 339.32 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82972044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).