1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine

C15H24BrN3 — CID 55022921

IUPAC1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine
SMILESCCN1CCN(C(c2ccccc2Br)C(C)N)CC1
InChIInChI=1S/C15H24BrN3/c1-3-18-8-10-19(11-9-18)15(12(2)17)13-6-4-5-7-14(13)16/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeyRFMFHWPTABWFSU-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine

1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine (PubChem CID 55022921) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine
PubChem CID55022921
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine
SMILESCCN1CCN(C(c2ccccc2Br)C(C)N)CC1
InChIInChI=1S/C15H24BrN3/c1-3-18-8-10-19(11-9-18)15(12(2)17)13-6-4-5-7-14(13)16/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeyRFMFHWPTABWFSU-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.47
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-(4-ethylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine (CID 55022921) is 1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine is CCN1CCN(C(c2ccccc2Br)C(C)N)CC1.
What is the InChIKey of 1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine?
The InChIKey is RFMFHWPTABWFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-3-18-8-10-19(11-9-18)15(12(2)17)13-6-4-5-7-14(13)16/h4-7,12,15H,3,8-11,17H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine?
1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 2.47, 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-(4-ethylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 55022921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).