1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine

C16H25F2N3 — CID 107520830

IUPAC1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
SMILESCC(C)CN1CCN(CC(N)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H25F2N3/c1-12(2)10-20-5-7-21(8-6-20)11-16(19)14-9-13(17)3-4-15(14)18/h3-4,9,12,16H,5-8,10-11,19H2,1-2H3
InChIKeyKAACLFOKOGKNSY-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.24
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine

1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine (PubChem CID 107520830) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
PubChem CID107520830
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
SMILESCC(C)CN1CCN(CC(N)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H25F2N3/c1-12(2)10-20-5-7-21(8-6-20)11-16(19)14-9-13(17)3-4-15(14)18/h3-4,9,12,16H,5-8,10-11,19H2,1-2H3
InChIKeyKAACLFOKOGKNSY-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 63368809
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 107522065
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
CID 107521756
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
1-[2-(2,5-difluorophenyl)propyl]piperazine
CID 82292755
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,4-difluorophenyl)ethanamine
CID 107520191
1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 107520066
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
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(2,5-difluorophenyl)ethanamine
CID 107522127

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine (CID 107520830) is 1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine is CC(C)CN1CCN(CC(N)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
The InChIKey is KAACLFOKOGKNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-12(2)10-20-5-7-21(8-6-20)11-16(19)14-9-13(17)3-4-15(14)18/h3-4,9,12,16H,5-8,10-11,19H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine has a molecular weight of 297.39 g/mol, XLogP of 2.24, 5 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-[4-(2-methylpropyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 107520830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).