1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine

C16H26BrN3 — CID 62612497

IUPAC1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCCN1CCN(CCC(NC)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H26BrN3/c1-3-19-9-11-20(12-10-19)8-7-16(18-2)14-5-4-6-15(17)13-14/h4-6,13,16,18H,3,7-12H2,1-2H3
InChIKeyLVQHWLUUIXTJQL-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.74
Rot. Bonds6

About 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine

1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine (PubChem CID 62612497) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
PubChem CID62612497
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCCN1CCN(CCC(NC)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H26BrN3/c1-3-19-9-11-20(12-10-19)8-7-16(18-2)14-5-4-6-15(17)13-14/h4-6,13,16,18H,3,7-12H2,1-2H3
InChIKeyLVQHWLUUIXTJQL-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-(3-bromophenyl)-3-(4-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62618283
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162
1-(3-bromophenyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 62618049
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539152
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-bromophenyl)-N-methylpropan-1-amine
CID 79933548
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358583
1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102967425
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
1-(3-bromophenyl)-N-methyl-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613981

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine (CID 62612497) is 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine is CCN1CCN(CCC(NC)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine?
The InChIKey is LVQHWLUUIXTJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-3-19-9-11-20(12-10-19)8-7-16(18-2)14-5-4-6-15(17)13-14/h4-6,13,16,18H,3,7-12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine?
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62612497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).