1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine

C19H22BrNO2 — CID 176513537

IUPAC1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CN2CCCC2)c(Br)c1OCc1ccccc1
InChIInChI=1S/C19H22BrNO2/c1-22-17-10-9-16(13-21-11-5-6-12-21)18(20)19(17)23-14-15-7-3-2-4-8-15/h2-4,7-10H,5-6,11-14H2,1H3
InChIKeyAVWJEYJHHPJZJE-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.63
Rot. Bonds6

About 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine

1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine (PubChem CID 176513537) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine
PubChem CID176513537
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CN2CCCC2)c(Br)c1OCc1ccccc1
InChIInChI=1S/C19H22BrNO2/c1-22-17-10-9-16(13-21-11-5-6-12-21)18(20)19(17)23-14-15-7-3-2-4-8-15/h2-4,7-10H,5-6,11-14H2,1H3
InChIKeyAVWJEYJHHPJZJE-UHFFFAOYSA-N
XLogP4.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane
CID 71039784
1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 172648016
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2880183
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
1-benzyl-2-bromo-3,4-dimethoxybenzene
CID 10733510
4-[2-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl-methylamino]ethyl]phenol
CID 102275792
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 172648119
4-phenylmethoxy-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 13417334
1-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3369905
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine (CID 176513537) is 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine is COc1ccc(CN2CCCC2)c(Br)c1OCc1ccccc1.
What is the InChIKey of 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine?
The InChIKey is AVWJEYJHHPJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-22-17-10-9-16(13-21-11-5-6-12-21)18(20)19(17)23-14-15-7-3-2-4-8-15/h2-4,7-10H,5-6,11-14H2,1H3.
What are the key properties of 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine?
1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine has a molecular weight of 376.29 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 176513537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).