2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

C16H26BrN3O — CID 79664162

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(Br)c1)C1CN(C)CCN1C
InChIInChI=1S/C16H26BrN3O/c1-18-14(15-11-19(2)7-8-20(15)3)10-12-5-6-16(21-4)13(17)9-12/h5-6,9,14-15,18H,7-8,10-11H2,1-4H3
InChIKeyFSECLWNOGPFDBU-UHFFFAOYSA-N
MW356.31 g/mol
LogP1.83
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (PubChem CID 79664162) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
PubChem CID79664162
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(Br)c1)C1CN(C)CCN1C
InChIInChI=1S/C16H26BrN3O/c1-18-14(15-11-19(2)7-8-20(15)3)10-12-5-6-16(21-4)13(17)9-12/h5-6,9,14-15,18H,7-8,10-11H2,1-4H3
InChIKeyFSECLWNOGPFDBU-UHFFFAOYSA-N
XLogP1.83
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658598
[1-(1,4-dimethylpiperazin-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105247353
2-(3-bromo-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595773
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 79658844
2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 105406851
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448
N-[(3-bromo-4-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838335
3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722235
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664163

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (CID 79664162) is 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is CNC(Cc1ccc(OC)c(Br)c1)C1CN(C)CCN1C.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The InChIKey is FSECLWNOGPFDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-18-14(15-11-19(2)7-8-20(15)3)10-12-5-6-16(21-4)13(17)9-12/h5-6,9,14-15,18H,7-8,10-11H2,1-4H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine has a molecular weight of 356.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 79664162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).