2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride

C15H24BrClN2 — CID 120899800

IUPAC2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
SMILESCN(CCc1ccc(Br)cc1)CC1(C)CCNC1.Cl
InChIInChI=1S/C15H23BrN2.ClH/c1-15(8-9-17-11-15)12-18(2)10-7-13-3-5-14(16)6-4-13;/h3-6,17H,7-12H2,1-2H3;1H
InChIKeyAEBYOHVCUDOURS-UHFFFAOYSA-N
MW347.73 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride

2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride (PubChem CID 120899800) has the molecular formula C15H24BrClN2 and a molecular weight of 347.73 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
PubChem CID120899800
Molecular FormulaC15H24BrClN2
Molecular Weight347.73 g/mol
Exact Mass346.08
IUPAC Name2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
SMILESCN(CCc1ccc(Br)cc1)CC1(C)CCNC1.Cl
InChIInChI=1S/C15H23BrN2.ClH/c1-15(8-9-17-11-15)12-18(2)10-7-13-3-5-14(16)6-4-13;/h3-6,17H,7-12H2,1-2H3;1H
InChIKeyAEBYOHVCUDOURS-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride (CID 120899800) is 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride is CN(CCc1ccc(Br)cc1)CC1(C)CCNC1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The InChIKey is AEBYOHVCUDOURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2.ClH/c1-15(8-9-17-11-15)12-18(2)10-7-13-3-5-14(16)6-4-13;/h3-6,17H,7-12H2,1-2H3;1H.
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride has a molecular weight of 347.73 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120899800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).