1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine

C16H26BrN3 — CID 63605563

IUPAC1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
SMILESCCC1CN(C(c2ccccc2Br)C(C)N)CCN1C
InChIInChI=1S/C16H26BrN3/c1-4-13-11-20(10-9-19(13)3)16(12(2)18)14-7-5-6-8-15(14)17/h5-8,12-13,16H,4,9-11,18H2,1-3H3
InChIKeyOHAVRAMPOYGTIU-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine

1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 63605563) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
PubChem CID63605563
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
SMILESCCC1CN(C(c2ccccc2Br)C(C)N)CCN1C
InChIInChI=1S/C16H26BrN3/c1-4-13-11-20(10-9-19(13)3)16(12(2)18)14-7-5-6-8-15(14)17/h5-8,12-13,16H,4,9-11,18H2,1-3H3
InChIKeyOHAVRAMPOYGTIU-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine (CID 63605563) is 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine is CCC1CN(C(c2ccccc2Br)C(C)N)CCN1C.
What is the InChIKey of 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is OHAVRAMPOYGTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-4-13-11-20(10-9-19(13)3)16(12(2)18)14-7-5-6-8-15(14)17/h5-8,12-13,16H,4,9-11,18H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine?
1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 63605563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).