1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

C15H23F2N3 — CID 107522065

IUPAC1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(CC(N)c2cc(F)ccc2F)CC(C)N1C
InChIInChI=1S/C15H23F2N3/c1-10-7-20(8-11(2)19(10)3)9-15(18)13-6-12(16)4-5-14(13)17/h4-6,10-11,15H,7-9,18H2,1-3H3
InChIKeyDBDMEXFQSODEKZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.99
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (PubChem CID 107522065) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
PubChem CID107522065
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(CC(N)c2cc(F)ccc2F)CC(C)N1C
InChIInChI=1S/C15H23F2N3/c1-10-7-20(8-11(2)19(10)3)9-15(18)13-6-12(16)4-5-14(13)17/h4-6,10-11,15H,7-9,18H2,1-3H3
InChIKeyDBDMEXFQSODEKZ-UHFFFAOYSA-N
XLogP1.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
CID 107521756
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 107523061
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522884
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 107520814
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(2,5-difluorophenyl)ethanamine
CID 107522127
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (CID 107522065) is 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is CC1CN(CC(N)c2cc(F)ccc2F)CC(C)N1C.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is DBDMEXFQSODEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-10-7-20(8-11(2)19(10)3)9-15(18)13-6-12(16)4-5-14(13)17/h4-6,10-11,15H,7-9,18H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 283.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 107522065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).