2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine

C14H21BrN2O2 — CID 103531609

IUPAC2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCC(OC)C2)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-18-11-5-6-17(9-11)13(8-16)10-3-4-14(19-2)12(15)7-10/h3-4,7,11,13H,5-6,8-9,16H2,1-2H3
InChIKeyCQMCUUOLQJMPOH-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.18
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine

2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine (PubChem CID 103531609) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
PubChem CID103531609
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCC(OC)C2)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-18-11-5-6-17(9-11)13(8-16)10-3-4-14(19-2)12(15)7-10/h3-4,7,11,13H,5-6,8-9,16H2,1-2H3
InChIKeyCQMCUUOLQJMPOH-UHFFFAOYSA-N
XLogP2.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 61036698
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 65096664
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
(3R)-1-[(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124747076
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530959
2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104696
2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine (CID 103531609) is 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine is COc1ccc(C(CN)N2CCC(OC)C2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The InChIKey is CQMCUUOLQJMPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-18-11-5-6-17(9-11)13(8-16)10-3-4-14(19-2)12(15)7-10/h3-4,7,11,13H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine has a molecular weight of 329.24 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 103531609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).