3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

C15H24BrN3 — CID 62561539

IUPAC3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCNc2cccc(Br)c2)CC1
InChIInChI=1S/C15H24BrN3/c1-13(2)19-10-8-18(9-11-19)7-6-17-15-5-3-4-14(16)12-15/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyVZGZFRANAOLSEH-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.89
Rot. Bonds5

About 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (PubChem CID 62561539) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
PubChem CID62561539
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCNc2cccc(Br)c2)CC1
InChIInChI=1S/C15H24BrN3/c1-13(2)19-10-8-18(9-11-19)7-6-17-15-5-3-4-14(16)12-15/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyVZGZFRANAOLSEH-UHFFFAOYSA-N
XLogP2.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62559865
3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
3-bromo-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]aniline
CID 62559315
3-bromo-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 59590019
3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline
CID 62560814
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62773685
3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline
CID 63024508
2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 55090288
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline
CID 62889245
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
CID 19827128
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (CID 62561539) is 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is CC(C)N1CCN(CCNc2cccc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The InChIKey is VZGZFRANAOLSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-13(2)19-10-8-18(9-11-19)7-6-17-15-5-3-4-14(16)12-15/h3-5,12-13,17H,6-11H2,1-2H3.
What are the key properties of 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline has a molecular weight of 326.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 62561539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).