[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol

C13H18BrNO — CID 103881875

IUPAC[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CN2CCC[C@@H]2CO)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-10-4-5-11(13(14)7-10)8-15-6-2-3-12(15)9-16/h4-5,7,12,16H,2-3,6,8-9H2,1H3/t12-/m1/s1
InChIKeyDMZOJXSDUJTQCU-GFCCVEGCSA-N
MW284.20 g/mol
LogP2.71
Rot. Bonds3

About [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 103881875) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID103881875
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CN2CCC[C@@H]2CO)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-10-4-5-11(13(14)7-10)8-15-6-2-3-12(15)9-16/h4-5,7,12,16H,2-3,6,8-9H2,1H3/t12-/m1/s1
InChIKeyDMZOJXSDUJTQCU-GFCCVEGCSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,5-dimethylphenyl)methyl]azepan-2-yl]methanol
CID 116637472
3-bromo-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 102767097
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 60584720
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 60684893
N-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
[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
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885793

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol (CID 103881875) is [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol is Cc1ccc(CN2CCC[C@@H]2CO)c(Br)c1.
What is the InChIKey of [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is DMZOJXSDUJTQCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-4-5-11(13(14)7-10)8-15-6-2-3-12(15)9-16/h4-5,7,12,16H,2-3,6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 284.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103881875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).