1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine

C15H20BrN — CID 67057685

IUPAC1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrN/c1-11-3-2-8-17(11)15-9-13(10-15)12-4-6-14(16)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3
InChIKeyAYSPWMDLXDOPOE-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.18
Rot. Bonds2

About 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine

1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine (PubChem CID 67057685) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
PubChem CID67057685
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrN/c1-11-3-2-8-17(11)15-9-13(10-15)12-4-6-14(16)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3
InChIKeyAYSPWMDLXDOPOE-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
CID 67057635
1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole
CID 16666835
2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one
CID 16666784
1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68987766
(2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68930732
3-(4-bromophenyl)-1-methylpiperidine
CID 58367593
3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 107167321
(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
CID 69230539
(2R)-1-[[(2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
CID 69230542
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
CID 61211031
(3R,4R,8aS)-3,4-bis(4-bromophenyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 14245867

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine?
The IUPAC name of 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine (CID 67057685) is 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine is CC1CCCN1C1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine?
The InChIKey is AYSPWMDLXDOPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c1-11-3-2-8-17(11)15-9-13(10-15)12-4-6-14(16)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3.
What are the key properties of 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine?
1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine has a molecular weight of 294.24 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine is sourced from PubChem (CID 67057685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).