3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine

C13H18BrNO2 — CID 62371249

IUPAC3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
SMILESCOc1ccc(Br)cc1COCC1CCNC1
InChIInChI=1S/C13H18BrNO2/c1-16-13-3-2-12(14)6-11(13)9-17-8-10-4-5-15-7-10/h2-3,6,10,15H,4-5,7-9H2,1H3
InChIKeyKEKVZZCAPHGTHZ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.58
Rot. Bonds5

About 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine

3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine (PubChem CID 62371249) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
PubChem CID62371249
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
SMILESCOc1ccc(Br)cc1COCC1CCNC1
InChIInChI=1S/C13H18BrNO2/c1-16-13-3-2-12(14)6-11(13)9-17-8-10-4-5-15-7-10/h2-3,6,10,15H,4-5,7-9H2,1H3
InChIKeyKEKVZZCAPHGTHZ-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
CID 62341089
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210863
4-[(2-methoxy-5-methylphenyl)methoxymethyl]piperidine
CID 55060565
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
3-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methoxy]pyrrolidine;hydrochloride
CID 69237786
(3S)-3-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 86321601
(3S)-3-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86320109
2-methoxy-4-(pyrrolidin-3-ylmethoxymethyl)benzonitrile
CID 106792418

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine (CID 62371249) is 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine is COc1ccc(Br)cc1COCC1CCNC1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine?
The InChIKey is KEKVZZCAPHGTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-13-3-2-12(14)6-11(13)9-17-8-10-4-5-15-7-10/h2-3,6,10,15H,4-5,7-9H2,1H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine?
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine has a molecular weight of 300.20 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 62371249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).