1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine

C17H27BrN2 — CID 62629250

IUPAC1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine
SMILESCCC1CCCN(CCC(NC)c2ccccc2Br)C1
InChIInChI=1S/C17H27BrN2/c1-3-14-7-6-11-20(13-14)12-10-17(19-2)15-8-4-5-9-16(15)18/h4-5,8-9,14,17,19H,3,6-7,10-13H2,1-2H3
InChIKeyQOPRYTZNWFWQSB-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.22
Rot. Bonds6

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

1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine (PubChem CID 62629250) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine
PubChem CID62629250
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine
SMILESCCC1CCCN(CCC(NC)c2ccccc2Br)C1
InChIInChI=1S/C17H27BrN2/c1-3-14-7-6-11-20(13-14)12-10-17(19-2)15-8-4-5-9-16(15)18/h4-5,8-9,14,17,19H,3,6-7,10-13H2,1-2H3
InChIKeyQOPRYTZNWFWQSB-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
1-(2-bromophenyl)-N-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
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1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
CID 104691933
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
1-[3-(2-bromophenyl)-3-(methylamino)propyl]-4-methylazepan-4-ol
CID 107408707
1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine
CID 107395154
1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966991
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775
1-(3-bromophenyl)-3-(4-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62618283
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008
1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62630911

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine (CID 62629250) is 1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine is CCC1CCCN(CCC(NC)c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is QOPRYTZNWFWQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-14-7-6-11-20(13-14)12-10-17(19-2)15-8-4-5-9-16(15)18/h4-5,8-9,14,17,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine?
1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62629250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).