1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine

C14H21BrFN3 — CID 116956912

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCNC(CC1CN(C)CCN1)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFN3/c1-17-14(8-11-9-19(2)6-5-18-11)12-7-10(15)3-4-13(12)16/h3-4,7,11,14,17-18H,5-6,8-9H2,1-2H3
InChIKeyVVYHKLNAOOTYLT-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.14
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine

1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine (PubChem CID 116956912) has the molecular formula C14H21BrFN3 and a molecular weight of 330.25 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
PubChem CID116956912
Molecular FormulaC14H21BrFN3
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCNC(CC1CN(C)CCN1)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFN3/c1-17-14(8-11-9-19(2)6-5-18-11)12-7-10(15)3-4-13(12)16/h3-4,7,11,14,17-18H,5-6,8-9H2,1-2H3
InChIKeyVVYHKLNAOOTYLT-UHFFFAOYSA-N
XLogP2.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
CID 115239342
1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956897
1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951610
1-(5-bromo-2-fluorophenyl)-2-(4-methylpiperazin-2-yl)ethanone
CID 116920030
1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956863
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79739614
1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951457
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
CID 114201055
1-cyclohexyl-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956926

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine (CID 116956912) is 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine is CNC(CC1CN(C)CCN1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine?
The InChIKey is VVYHKLNAOOTYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN3/c1-17-14(8-11-9-19(2)6-5-18-11)12-7-10(15)3-4-13(12)16/h3-4,7,11,14,17-18H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine?
1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine has a molecular weight of 330.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 116956912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).