2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone

C14H19BrN2O2 — CID 61391986

IUPAC2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone
SMILESNCCc1cccc(Br)c1OCC(=O)N1CCCC1
InChIInChI=1S/C14H19BrN2O2/c15-12-5-3-4-11(6-7-16)14(12)19-10-13(18)17-8-1-2-9-17/h3-5H,1-2,6-10,16H2
InChIKeyMFYJFKCJPDGXHS-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.95
Rot. Bonds5

About 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone

2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 61391986) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID61391986
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone
SMILESNCCc1cccc(Br)c1OCC(=O)N1CCCC1
InChIInChI=1S/C14H19BrN2O2/c15-12-5-3-4-11(6-7-16)14(12)19-10-13(18)17-8-1-2-9-17/h3-5H,1-2,6-10,16H2
InChIKeyMFYJFKCJPDGXHS-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-bromophenoxy]-1-(azepan-1-yl)ethanone
CID 61391992
2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 61390455
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
3-[3-bromo-2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 76899358
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 60905328
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79172889
2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 60594267
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
methyl 3-[2-(2-aminoethyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79619837
2-(4-amino-2-bromophenoxy)-1-pyrrolidin-1-ylethanone
CID 154897691
3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide
CID 62326107

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone (CID 61391986) is 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone is NCCc1cccc(Br)c1OCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is MFYJFKCJPDGXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-5-3-4-11(6-7-16)14(12)19-10-13(18)17-8-1-2-9-17/h3-5H,1-2,6-10,16H2.
What are the key properties of 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 327.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 61391986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).