1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine

C15H22BrN3 — CID 82972368

IUPAC1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C15H22BrN3/c1-11(17)14-10-12(16)2-5-15(14)19-8-6-18(7-9-19)13-3-4-13/h2,5,10-11,13H,3-4,6-9,17H2,1H3
InChIKeyTUELIUGHAPIKHO-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.75
Rot. Bonds3

About 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine

1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 82972368) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
PubChem CID82972368
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C15H22BrN3/c1-11(17)14-10-12(16)2-5-15(14)19-8-6-18(7-9-19)13-3-4-13/h2,5,10-11,13H,3-4,6-9,17H2,1H3
InChIKeyTUELIUGHAPIKHO-UHFFFAOYSA-N
XLogP2.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-methylpiperidin-1-yl)phenyl]ethanamine
CID 82971938
1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
CID 82972274
5-bromo-2-(4-cyclopropylpiperazin-1-yl)benzonitrile
CID 113238334
1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol
CID 102958926
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 78935482
5-bromo-2-(4-cyclohexylpiperazin-1-yl)aniline
CID 117013658
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
6-[2-(1-aminoethyl)-4-bromophenyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 82955267
1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 82971471
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromophenyl]-N-methylethanamine
CID 82955447
1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 82967867

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine (CID 82972368) is 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine is CC(N)c1cc(Br)ccc1N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is TUELIUGHAPIKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-11(17)14-10-12(16)2-5-15(14)19-8-6-18(7-9-19)13-3-4-13/h2,5,10-11,13H,3-4,6-9,17H2,1H3.
What are the key properties of 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine?
1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 324.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 82972368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).