2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine

C16H24BrN3O — CID 63783108

IUPAC2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H24BrN3O/c17-14-2-1-13(3-5-18)16(11-14)20-6-4-15(12-20)19-7-9-21-10-8-19/h1-2,11,15H,3-10,12,18H2
InChIKeyGNHYYHNYRLIXLY-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.86
Rot. Bonds4

About 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine

2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 63783108) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID63783108
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H24BrN3O/c17-14-2-1-13(3-5-18)16(11-14)20-6-4-15(12-20)19-7-9-21-10-8-19/h1-2,11,15H,3-10,12,18H2
InChIKeyGNHYYHNYRLIXLY-UHFFFAOYSA-N
XLogP1.86
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 63170298
2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114860944
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-bromophenyl]methanamine
CID 63150594
1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
CID 63782727
1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol
CID 82958133
2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63782755
2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 63782212
(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-chlorophenyl]ethanamine
CID 114861027
[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 63170938
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chlorophenyl]ethanamine
CID 114861974
2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine
CID 63782402

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine (CID 63783108) is 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine is NCCc1ccc(Br)cc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is GNHYYHNYRLIXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c17-14-2-1-13(3-5-18)16(11-14)20-6-4-15(12-20)19-7-9-21-10-8-19/h1-2,11,15H,3-10,12,18H2.
What are the key properties of 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 354.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63783108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).