1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine

C15H23BrN2 — CID 55099040

IUPAC1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
SMILESCNC(CCN1CCC(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-12-7-9-18(11-12)10-8-15(17-2)13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyWMSORVUMZSXTHX-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine

1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine (PubChem CID 55099040) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
PubChem CID55099040
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
SMILESCNC(CCN1CCC(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-12-7-9-18(11-12)10-8-15(17-2)13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyWMSORVUMZSXTHX-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635314
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66372166
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
CID 62617885
[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62617417
[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 112628961

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine (CID 55099040) is 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine is CNC(CCN1CCC(C)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is WMSORVUMZSXTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-12-7-9-18(11-12)10-8-15(17-2)13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 55099040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).