1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine

C15H23BrN2 — CID 82972274

IUPAC1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCC1CCCN(c2ccc(Br)cc2C(C)N)C1
InChIInChI=1S/C15H23BrN2/c1-3-12-5-4-8-18(10-12)15-7-6-13(16)9-14(15)11(2)17/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3
InChIKeyIRUAMKLUNTZVEZ-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.10
Rot. Bonds3

About 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine

1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 82972274) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
PubChem CID82972274
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCC1CCCN(c2ccc(Br)cc2C(C)N)C1
InChIInChI=1S/C15H23BrN2/c1-3-12-5-4-8-18(10-12)15-7-6-13(16)9-14(15)11(2)17/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3
InChIKeyIRUAMKLUNTZVEZ-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 82971938
N-[1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82956373
1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 82972044
[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
CID 114061365
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromophenyl]ethanamine
CID 82968823
1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114061978
1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 43584596
(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 55188508
1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 82972368
1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol
CID 102958926
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62908518

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine (CID 82972274) is 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine is CCC1CCCN(c2ccc(Br)cc2C(C)N)C1.
What is the InChIKey of 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is IRUAMKLUNTZVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-12-5-4-8-18(10-12)15-7-6-13(16)9-14(15)11(2)17/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine?
1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 311.27 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 82972274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).