1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine

C13H18BrNO — CID 170918995

IUPAC1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine
SMILESCOCc1cc(CN2CCCC2)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-16-10-12-8-11(4-5-13(12)14)9-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyAYXKVUKEPOILIW-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.19
Rot. Bonds4

About 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine

1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine (PubChem CID 170918995) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine
PubChem CID170918995
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine
SMILESCOCc1cc(CN2CCCC2)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-16-10-12-8-11(4-5-13(12)14)9-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyAYXKVUKEPOILIW-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine 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

5-(azepan-1-ylmethyl)-2-bromophenol
CID 117220063
1-[(3,4-diethylphenyl)methyl]pyrrolidine
CID 170618261
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
1-[(3-bromo-4-methoxyphenyl)methyl]-4,4-dimethylazepane
CID 65282649
1-[(2-bromo-4-methoxyphenyl)methyl]pyrrolidine
CID 117220863
tert-butyl (3R)-4-[[4-bromo-3-(methoxymethyl)phenyl]methyl]-3-methylpiperazine-1-carboxylate
CID 170919014
[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine
CID 125454284
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol
CID 86038591
1-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropiperidine
CID 63389605
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142

Frequently Asked Questions

What is the IUPAC name of 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine (CID 170918995) is 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine is COCc1cc(CN2CCCC2)ccc1Br.
What is the InChIKey of 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine?
The InChIKey is AYXKVUKEPOILIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-10-12-8-11(4-5-13(12)14)9-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine?
1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine has a molecular weight of 284.20 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 170918995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).