1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine

C13H19BrN2O — CID 116935969

IUPAC1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
SMILESCOc1ccc(Br)cc1C(N)CC1CCCN1
InChIInChI=1S/C13H19BrN2O/c1-17-13-5-4-9(14)7-11(13)12(15)8-10-3-2-6-16-10/h4-5,7,10,12,16H,2-3,6,8,15H2,1H3
InChIKeyBWTPMSQBIBOCGA-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.60
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine

1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine (PubChem CID 116935969) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
PubChem CID116935969
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
SMILESCOc1ccc(Br)cc1C(N)CC1CCCN1
InChIInChI=1S/C13H19BrN2O/c1-17-13-5-4-9(14)7-11(13)12(15)8-10-3-2-6-16-10/h4-5,7,10,12,16H,2-3,6,8,15H2,1H3
InChIKeyBWTPMSQBIBOCGA-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951457
1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116936006
1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine
CID 116936289
1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 65154803
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine (CID 116935969) is 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine is COc1ccc(Br)cc1C(N)CC1CCCN1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine?
The InChIKey is BWTPMSQBIBOCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-17-13-5-4-9(14)7-11(13)12(15)8-10-3-2-6-16-10/h4-5,7,10,12,16H,2-3,6,8,15H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine?
1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116935969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).