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

C17H25BrN2 — CID 82967867

IUPAC1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1N1CCCC1C1CCCC1
InChIInChI=1S/C17H25BrN2/c1-12(19)15-11-14(18)8-9-17(15)20-10-4-7-16(20)13-5-2-3-6-13/h8-9,11-13,16H,2-7,10,19H2,1H3
InChIKeyGNVFYMMWTDIWOP-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.63
Rot. Bonds3

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

1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 82967867) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID82967867
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1N1CCCC1C1CCCC1
InChIInChI=1S/C17H25BrN2/c1-12(19)15-11-14(18)8-9-17(15)20-10-4-7-16(20)13-5-2-3-6-13/h8-9,11-13,16H,2-7,10,19H2,1H3
InChIKeyGNVFYMMWTDIWOP-UHFFFAOYSA-N
XLogP4.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluorophenyl]ethanamine
CID 102726753
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-fluorophenyl]ethanamine
CID 65320484
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromophenyl]ethanamine
CID 82968823
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-bromophenyl]propan-2-amine
CID 65322122
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-bromophenyl]methanamine
CID 102725431
(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 63368798
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 82971938
1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol
CID 62912700
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-chlorophenyl]ethanamine
CID 102726748
1-[5-bromo-2-(2-methylazepan-1-yl)phenyl]ethanol
CID 82970582
(1R)-1-[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chlorophenyl]ethanamine
CID 65321011
1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
CID 82972274

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine (CID 82967867) is 1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine is CC(N)c1cc(Br)ccc1N1CCCC1C1CCCC1.
What is the InChIKey of 1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is GNVFYMMWTDIWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-12(19)15-11-14(18)8-9-17(15)20-10-4-7-16(20)13-5-2-3-6-13/h8-9,11-13,16H,2-7,10,19H2,1H3.
What are the key properties of 1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine?
1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 337.31 g/mol, XLogP of 4.63, 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-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 82967867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).