2-(3-bromophenyl)-2-methylpyrrolidin-3-ol

C11H14BrNO — CID 115047690

IUPAC2-(3-bromophenyl)-2-methylpyrrolidin-3-ol
SMILESCC1(c2cccc(Br)c2)NCCC1O
InChIInChI=1S/C11H14BrNO/c1-11(10(14)5-6-13-11)8-3-2-4-9(12)7-8/h2-4,7,10,13-14H,5-6H2,1H3
InChIKeyVXVBYPOOFMAWHJ-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.02
Rot. Bonds1

About 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol

2-(3-bromophenyl)-2-methylpyrrolidin-3-ol (PubChem CID 115047690) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-methylpyrrolidin-3-ol
PubChem CID115047690
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(3-bromophenyl)-2-methylpyrrolidin-3-ol
SMILESCC1(c2cccc(Br)c2)NCCC1O
InChIInChI=1S/C11H14BrNO/c1-11(10(14)5-6-13-11)8-3-2-4-9(12)7-8/h2-4,7,10,13-14H,5-6H2,1H3
InChIKeyVXVBYPOOFMAWHJ-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
CID 115054403
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306
2-(4-bromophenyl)-2-methylpiperidin-3-ol
CID 115050363
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
(3R)-3-(3-bromophenyl)-3-methylmorpholine
CID 96926768
3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037533
1-bromo-3-(1,3-dimethylcyclobutyl)benzene
CID 169179342
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218
2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229092
2-(4-fluorophenyl)-2-methylpiperidin-3-ol
CID 115026400
2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride
CID 115053488
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 83488510

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol?
The IUPAC name of 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol (CID 115047690) is 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol.
What is the SMILES notation for 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol?
The canonical SMILES for 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol is CC1(c2cccc(Br)c2)NCCC1O.
What is the InChIKey of 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol?
The InChIKey is VXVBYPOOFMAWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(10(14)5-6-13-11)8-3-2-4-9(12)7-8/h2-4,7,10,13-14H,5-6H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol?
2-(3-bromophenyl)-2-methylpyrrolidin-3-ol has a molecular weight of 256.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-methylpyrrolidin-3-ol is sourced from PubChem (CID 115047690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).