2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone

C14H19BrN2O2 — CID 79473592

IUPAC2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone
SMILESNCCOCC(=O)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-4-1-3-11(9-12)13-5-2-7-17(13)14(18)10-19-8-6-16/h1,3-4,9,13H,2,5-8,10,16H2
InChIKeyGWDWQDXKZJZHGP-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.09
Rot. Bonds5

About 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone

2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 79473592) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone
PubChem CID79473592
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone
SMILESNCCOCC(=O)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-4-1-3-11(9-12)13-5-2-7-17(13)14(18)10-19-8-6-16/h1,3-4,9,13H,2,5-8,10,16H2
InChIKeyGWDWQDXKZJZHGP-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119291405
1-[2-(3-bromophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876524
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 60947846
tert-butyl (2R)-2-(3-bromophenyl)pyrrolidine-1-carboxylate
CID 86332501
N-[4-[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 52500706
1-[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 52532817
2-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 79813601
N-[6-[2-(3-bromophenyl)pyrrolidin-1-yl]-6-oxohexyl]acetamide
CID 60536010
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 55945610
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 55890097
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 119288514

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone (CID 79473592) is 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone is NCCOCC(=O)N1CCCC1c1cccc(Br)c1.
What is the InChIKey of 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is GWDWQDXKZJZHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-4-1-3-11(9-12)13-5-2-7-17(13)14(18)10-19-8-6-16/h1,3-4,9,13H,2,5-8,10,16H2.
What are the key properties of 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone?
2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 327.22 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 79473592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).