[4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol

C12H16BrNO — CID 102568208

IUPAC[4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CC(CO)C(c2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrNO/c1-14-6-10(8-15)12(7-14)9-3-2-4-11(13)5-9/h2-5,10,12,15H,6-8H2,1H3
InChIKeyUOALQWUFZSXGPE-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.09
Rot. Bonds2

About [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol

[4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 102568208) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID102568208
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CC(CO)C(c2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrNO/c1-14-6-10(8-15)12(7-14)9-3-2-4-11(13)5-9/h2-5,10,12,15H,6-8H2,1H3
InChIKeyUOALQWUFZSXGPE-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(3-bromophenyl)-1-methylpyrrolidin-3-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

3-(3-bromophenyl)-1-methyl-4-nitropyrrolidine
CID 134162634
[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 124675472
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987286
[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987229
3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine
CID 166705984
1-bromo-3-(2-propylcyclopropyl)benzene
CID 142794167
[2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol
CID 82124690
1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558337
1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558340
[2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol
CID 82124365
(3R,4R)-4-(3-chlorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962566
4-(3-bromophenyl)pyrrolidine-1,3-dicarboxylic acid
CID 66655297

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol (CID 102568208) is [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol is CN1CC(CO)C(c2cccc(Br)c2)C1.
What is the InChIKey of [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is UOALQWUFZSXGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-14-6-10(8-15)12(7-14)9-3-2-4-11(13)5-9/h2-5,10,12,15H,6-8H2,1H3.
What are the key properties of [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol?
[4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 270.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 102568208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).