(4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone

C15H21BrN2O2 — CID 67038222

IUPAC(4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone
SMILESCOCCN(C)C1CCN(C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O2/c1-17(9-10-20-2)14-7-8-18(11-14)15(19)12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3
InChIKeyFVKSMIBXJWUMKV-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.24
Rot. Bonds5

About (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone

(4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone (PubChem CID 67038222) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone
PubChem CID67038222
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone
SMILESCOCCN(C)C1CCN(C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O2/c1-17(9-10-20-2)14-7-8-18(11-14)15(19)12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3
InChIKeyFVKSMIBXJWUMKV-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901069
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
CID 145359890
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide
CID 71912388
(4-bromophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396170
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 119411111
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
(4-bromophenyl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801097

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone (CID 67038222) is (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone is COCCN(C)C1CCN(C(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is FVKSMIBXJWUMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-17(9-10-20-2)14-7-8-18(11-14)15(19)12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3.
What are the key properties of (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone?
(4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 341.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 67038222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).