1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine

C17H27BrN2O — CID 107395154

IUPAC1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC(C)(OC)C1)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-17(21-3)10-6-11-20(13-17)12-9-16(19-2)14-7-4-5-8-15(14)18/h4-5,7-8,16,19H,6,9-13H2,1-3H3
InChIKeyVUVBXDCPAJMMSR-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.60
Rot. Bonds6

About 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine

1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine (PubChem CID 107395154) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine
PubChem CID107395154
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC(C)(OC)C1)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-17(21-3)10-6-11-20(13-17)12-9-16(19-2)14-7-4-5-8-15(14)18/h4-5,7-8,16,19H,6,9-13H2,1-3H3
InChIKeyVUVBXDCPAJMMSR-UHFFFAOYSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-bromophenyl)-3-(methylamino)propyl]-4-methylazepan-4-ol
CID 107408707
1-(2-bromophenyl)-N-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62972451
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62629250
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 107392171
1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
CID 107395258
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62644958
1-(3,5-difluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
CID 107395261
1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
CID 104691933
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine (CID 107395154) is 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine is CNC(CCN1CCCC(C)(OC)C1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is VUVBXDCPAJMMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-17(21-3)10-6-11-20(13-17)12-9-16(19-2)14-7-4-5-8-15(14)18/h4-5,7-8,16,19H,6,9-13H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine?
1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 107395154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).