[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol

C14H20BrNO3 — CID 111442612

IUPAC[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCOc1ccc(CN2CCC(CO)C2)c(Br)c1OC
InChIInChI=1S/C14H20BrNO3/c1-18-12-4-3-11(13(15)14(12)19-2)8-16-6-5-10(7-16)9-17/h3-4,10,17H,5-9H2,1-2H3
InChIKeyOFHDVQUAZLOAIU-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.28
Rot. Bonds5

About [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol

[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 111442612) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID111442612
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCOc1ccc(CN2CCC(CO)C2)c(Br)c1OC
InChIInChI=1S/C14H20BrNO3/c1-18-12-4-3-11(13(15)14(12)19-2)8-16-6-5-10(7-16)9-17/h3-4,10,17H,5-9H2,1-2H3
InChIKeyOFHDVQUAZLOAIU-UHFFFAOYSA-N
XLogP2.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371929
[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
CID 45246759
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
5-[(3R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97009022
[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 43818111
[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 72843261
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
(3S,4R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120760275
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909419
methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
CID 115463329
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371729
4-methoxy-3-[(3-propylpyrrolidin-1-yl)methyl]benzonitrile
CID 112703211

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol (CID 111442612) is [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol is COc1ccc(CN2CCC(CO)C2)c(Br)c1OC.
What is the InChIKey of [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is OFHDVQUAZLOAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-18-12-4-3-11(13(15)14(12)19-2)8-16-6-5-10(7-16)9-17/h3-4,10,17H,5-9H2,1-2H3.
What are the key properties of [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 330.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 111442612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).