[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol

C13H18BrNO2 — CID 65326810

IUPAC[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(Br)c(CN2CCCC2CO)c1
InChIInChI=1S/C13H18BrNO2/c1-17-12-4-5-13(14)10(7-12)8-15-6-2-3-11(15)9-16/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyRLGOVKMFZCKEJY-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.41
Rot. Bonds4

About [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol

[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 65326810) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID65326810
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(Br)c(CN2CCCC2CO)c1
InChIInChI=1S/C13H18BrNO2/c1-17-12-4-5-13(14)10(7-12)8-15-6-2-3-11(15)9-16/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyRLGOVKMFZCKEJY-UHFFFAOYSA-N
XLogP2.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2-bromo-5-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 116637167
[(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 69175460
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65322729
methyl 2-[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 65327147
1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77065239
(4aR,8aR)-1-[(2-bromo-5-methoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727810
1-(2-bromo-5-methoxyphenyl)-3-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]urea
CID 86807547
1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidine-2-carbothioamide
CID 65323152
[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 103881875
[(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885780
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
CID 65326745
[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353134

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol (CID 65326810) is [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol is COc1ccc(Br)c(CN2CCCC2CO)c1.
What is the InChIKey of [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is RLGOVKMFZCKEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-12-4-5-13(14)10(7-12)8-15-6-2-3-11(15)9-16/h4-5,7,11,16H,2-3,6,8-9H2,1H3.
What are the key properties of [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 300.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 65326810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).