2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine

C16H26BrN3 — CID 61429621

IUPAC2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
SMILESCC(C)(C)N1CCN(C(CN)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H26BrN3/c1-16(2,3)20-9-7-19(8-10-20)15(12-18)13-5-4-6-14(17)11-13/h4-6,11,15H,7-10,12,18H2,1-3H3
InChIKeyVGVHNLBAAUDOGB-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine

2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine (PubChem CID 61429621) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
PubChem CID61429621
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
SMILESCC(C)(C)N1CCN(C(CN)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H26BrN3/c1-16(2,3)20-9-7-19(8-10-20)15(12-18)13-5-4-6-14(17)11-13/h4-6,11,15H,7-10,12,18H2,1-3H3
InChIKeyVGVHNLBAAUDOGB-UHFFFAOYSA-N
XLogP2.87
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 61429525
2-(3-bromo-4-fluorophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
CID 61429971
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624625
2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
CID 61429571
2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63215857
2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 43180447
2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 63776922
tert-butyl N-[(3R)-1-[(1S)-2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 124929567
2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 16792620

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine (CID 61429621) is 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine is CC(C)(C)N1CCN(C(CN)c2cccc(Br)c2)CC1.
What is the InChIKey of 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine?
The InChIKey is VGVHNLBAAUDOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-16(2,3)20-9-7-19(8-10-20)15(12-18)13-5-4-6-14(17)11-13/h4-6,11,15H,7-10,12,18H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine?
2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine has a molecular weight of 340.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 61429621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).