1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine

C15H23BrN2 — CID 83074259

IUPAC1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
SMILESCCC1(CN(C)Cc2ccccc2Br)CCCN1
InChIInChI=1S/C15H23BrN2/c1-3-15(9-6-10-17-15)12-18(2)11-13-7-4-5-8-14(13)16/h4-5,7-8,17H,3,6,9-12H2,1-2H3
InChIKeyUTKFTUAYTUWLDB-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.41
Rot. Bonds5

About 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine

1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine (PubChem CID 83074259) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
PubChem CID83074259
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
SMILESCCC1(CN(C)Cc2ccccc2Br)CCCN1
InChIInChI=1S/C15H23BrN2/c1-3-15(9-6-10-17-15)12-18(2)11-13-7-4-5-8-14(13)16/h4-5,7-8,17H,3,6,9-12H2,1-2H3
InChIKeyUTKFTUAYTUWLDB-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine (CID 83074259) is 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine is CCC1(CN(C)Cc2ccccc2Br)CCCN1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine?
The InChIKey is UTKFTUAYTUWLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-15(9-6-10-17-15)12-18(2)11-13-7-4-5-8-14(13)16/h4-5,7-8,17H,3,6,9-12H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine?
1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 83074259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).